The search result for the key word "NA"

A total of 429 results found based on your keywords
Recommendation ID Data Information Model Information Application Information Reference
Rank Total_Score Model_ID Dataset_Name Element_type Data_features Model_name Algorithm_name Prediction_type Code_source Study_types Disease_name Target_name Drug_name Interaction_type Recommended_Number PMID Journal Publication_Year
1 91.9 2042 NA Drug, Disease, Target Drug: SMILES, Target: the amino acid sequences VGAEDTI Random Forest (RF),Variational Graph AutoEncoder (VGAE),Graph AutoEncoder (GAE) Drug Target Interaction (DTI) https://github.com/FengYinFei/VGAEDTI Case studies NA NA NA Drug target interaction Top 15 drugs 37415176 BMC Bioinformatics 2023
2 90.6 1539 Ldataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Alzheimer's disease (AD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Alzheimer's disease (AD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 Ldataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Alzheimer's disease (AD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
2 90.6 1539 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH DRHGCN (Drug Repositioning based on the Heterogeneous information fusion Graph Convolutional Network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/TheWall9/DRHGCN Case studies Alzheimer's disease (AD) NA NA NA Top 10 drugs 34378011 Brief Bioinform 2021
3 87.8 2207 Dataset 4 Drug, Disease Drug: SMILES, Disease: Mesh semantic DRDSA (Drug Repositioning Deep Sparse Autoencoder) Deep sparse autoencoder,Deep feedforward neural network Drug Disease Association (DDA) https://github.com/luckymengmeng/HDVD Case studies COVID-19 NA NA NA Top 10 drugs 38103130 Interdiscip Sci 2024
3 87.8 2207 Dataset 1 Drug, Disease Drug: SMILES, Disease: Mesh semantic DRDSA (Drug Repositioning Deep Sparse Autoencoder) Deep sparse autoencoder,Deep feedforward neural network Drug Disease Association (DDA) https://github.com/luckymengmeng/HDVD Case studies COVID-19 NA NA NA Top 10 drugs 38103130 Interdiscip Sci 2024
3 87.8 2207 Dataset 2 Drug, Disease Drug: SMILES, Disease: Mesh semantic DRDSA (Drug Repositioning Deep Sparse Autoencoder) Deep sparse autoencoder,Deep feedforward neural network Drug Disease Association (DDA) https://github.com/luckymengmeng/HDVD Case studies COVID-19 NA NA NA Top 10 drugs 38103130 Interdiscip Sci 2024
3 87.8 2207 Dataset 3 Drug, Disease Drug: SMILES, Disease: Mesh semantic DRDSA (Drug Repositioning Deep Sparse Autoencoder) Deep sparse autoencoder,Deep feedforward neural network Drug Disease Association (DDA) https://github.com/luckymengmeng/HDVD Case studies COVID-19 NA NA NA Top 10 drugs 38103130 Interdiscip Sci 2024
4 86.5 1868 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH GLGMPNN Message Passing Neural Network (MPNN), Gated Fusion Mechanism Drug Disease Association (DDA) https://github.com/bdtree/GLGMPNN Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36305457 Brief Bioinform 2022
4 86.5 1868 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH GLGMPNN Message Passing Neural Network (MPNN), Gated Fusion Mechanism Drug Disease Association (DDA) https://github.com/bdtree/GLGMPNN Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36305457 Brief Bioinform 2022
5 86.05 2168 Bdataset Drug, Disease, Target Drug: SMILES, Disease: MesH, Target: Sequence HMLKGAT Graph Attention Network (The principle of three degrees influence),Multi-Kernel Learning Method (Gaussian kernel function,Cosine similarity function),Neural network Drug Disease Association (DDA) https://github.com/LDD-0914/HMLKGAT.git Case studies NA NA NA Drug disease interaction Top 5 diseases 38051617 IEEE/ACM Trans Comput Biol Bioinform 2024
5 86.05 2168 Hetero-A Drug, Disease, Target NA HMLKGAT Graph Attention Network (The principle of three degrees influence),Multi-Kernel Learning Method (Gaussian kernel function,Cosine similarity function),Neural network Drug Disease Association (DDA) https://github.com/LDD-0914/HMLKGAT.git Case studies NA NA NA Drug disease interaction Top 5 diseases 38051617 IEEE/ACM Trans Comput Biol Bioinform 2024
6 85.6 2118 DTINet Drug, Disease, Target Drug: SMILES(Drugbank), Target: amino acid sequences(HPRD) SATS Graph Neural Network (GNN) Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 30 drugs 37672364 IEEE J Biomed Health Inform 2023
7 84.3 1807 NA Drug, Disease Drug: SMILES, Disease: Mesh semantic GCMM (Graph convolution network based on a multimodal attention mechanism) Convolutional Neural Network (CNN) Drug Disease Association (DDA) https://github.com/FanZhang0820/GCMM Case studies Alzheimer's Disease (AD) NA NA NA Top 5 drugs 36100897 BMC Bioinformatics 2022
8 83.8 893 PREDICT (Fdataset) Drug, Disease Drug: SMILES, Disease: MeSH HNet-DNN Deep Neural Network (DNN) Drug Disease Association (DDA) https://github.com/hliu2016/HNet-DNN Case studies Breast neoplasms NA NA NA Top 15 drugs 32118415 J Chem Inf Model 2020
8 83.8 893 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH HNet-DNN Deep Neural Network (DNN) Drug Disease Association (DDA) https://github.com/hliu2016/HNet-DNN Case studies Breast neoplasms NA NA NA Top 15 drugs 32118415 J Chem Inf Model 2020
9 82.7 1848 Bdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH REDDA (Relations-Enhanced Drug-Disease Association prediction) Heterogeneous Graph Convolutional Network (HGCN) Drug Disease Association (DDA) https://github.com/gu-yaowen/REDDA Case studies Brain neoplasms NA NA NA Top 10 drugs 36182762 Comput Biol Med 2022
9 82.7 1848 NA Drug, Disease, Target, Gene, Pathway Drug: SMILES, Disease: MeSH REDDA (Relations-Enhanced Drug-Disease Association prediction) Heterogeneous Graph Convolutional Network (HGCN) Drug Disease Association (DDA) https://github.com/gu-yaowen/REDDA Case studies Breast neoplasms NA NA NA Top 10 drugs 36182762 Comput Biol Med 2022
9 82.7 1848 NA Drug, Disease, Target, Gene, Pathway Drug: SMILES, Disease: MeSH REDDA (Relations-Enhanced Drug-Disease Association prediction) Heterogeneous Graph Convolutional Network (HGCN) Drug Disease Association (DDA) https://github.com/gu-yaowen/REDDA Case studies Brain neoplasms NA NA NA Top 10 drugs 36182762 Comput Biol Med 2022
9 82.7 1848 Bdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH REDDA (Relations-Enhanced Drug-Disease Association prediction) Heterogeneous Graph Convolutional Network (HGCN) Drug Disease Association (DDA) https://github.com/gu-yaowen/REDDA Case studies Breast neoplasms NA NA NA Top 10 drugs 36182762 Comput Biol Med 2022
10 82.1 1842 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
10 82.1 1842 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Breast Cancer NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
10 82.1 1842 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
10 82.1 1842 Gdataset Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
10 82.1 1842 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Breast Cancer NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
10 82.1 1842 Gdataset Drug, Disease Drug: SMILES, Disease: MeSH PSGCN (Partner-specific drug repositioning approach based on graph convolutional network） Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/xinliangSun/PSGCN Case studies Breast Cancer NA NA NA Top 10 drugs 35921345 IEEE J Biomed Health Inform 2022
11 81.9 2175 Ldataset Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Alzheimer's Disease (AD) NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 Cdataset Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Breast carcinoma NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 LRSSL Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Alzheimer's Disease (AD) NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 Gdataset (Fdataset) Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Alzheimer's Disease (AD) NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 Ldataset Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Breast carcinoma NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 LRSSL Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Breast carcinoma NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 Gdataset (Fdataset) Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Breast carcinoma NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
11 81.9 2175 Cdataset Drug, Disease Drug: 2D chemical fingerprints, Diseases: The semantic similarity of disease phenotypes AdaDR (Adaptive Graph Convolutional Networks for Drug Repositioning) Adaptive Graph Convolutional Network (AGCN) Drug Disease Association (DDA) https://github.com/xinliangSun/AdaDR Case studies Alzheimer's Disease (AD) NA NA NA Top 5 drugs 38070161 Bioinformatics 2024
12 81.8 795 Fdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms SKCNN Sigmoid Kernel and Convolutional Neural Network (SKCNN),Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/SKCNN Case studies Obesity NA NA NA Top 20 drugs 31747915 J Transl Med 2019
12 81.8 795 Fdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms SKCNN Sigmoid Kernel and Convolutional Neural Network (SKCNN),Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/SKCNN Case studies Asthma NA NA NA Top 20 drugs 31747915 J Transl Med 2019
12 81.8 795 Cdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms SKCNN Sigmoid Kernel and Convolutional Neural Network (SKCNN),Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/SKCNN Case studies Obesity NA NA NA Top 20 drugs 31747915 J Transl Med 2019
12 81.8 795 Cdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms SKCNN Sigmoid Kernel and Convolutional Neural Network (SKCNN),Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/SKCNN Case studies Asthma NA NA NA Top 20 drugs 31747915 J Transl Med 2019
13 81.4 1860 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Breast carcinoma NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 T1 Drug, Disease, Target Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Breast carcinoma NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 T1 Drug, Disease, Target Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 T2 Drug, Disease, Target Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Breast carcinoma NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Breast carcinoma NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 36359016 Biomolecules 2022
13 81.4 1860 T2 Drug, Disease, Target Drug: SMILES, Disease: MeSH EMPHCN (Enhanced Message Passing and Hypergraph Convolutional Networks) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/hwh7301/EMPHCN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 36359016 Biomolecules 2022
14 81 2099 NA Drug, Disease, Target, Side-effect Drug: SMILES, Target: the amino acid sequences MOVE Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/scu-kdde/Bioinfo-MOVE2.0 Case studies COVID-19 Peroxisome proliferator-activated receptor gamma(P37231), Peroxisome proliferator-activated receptor alpha(Q07869), Apoptosis regulator Bcl-2(P10415), Angiotensin-converting enzyme 2(Q9BYF1), Cystic fibrosis transmembrane conductance regulator(P13569), Nuclear receptor subfamily 1 group I member 2(O75469), Annexin A1(P04083) NA NA Top 7 drugs 37586602 Methods 2023
15 80.7 1994 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences MSGNN-DTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/songxuanmo/MSGNN-DTA Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 11 drugs 37176031 Int J Mol Sci 2023
15 80.7 1994 KIBA Drug, Target Drug: SMILES, Target: the amino acid sequences MSGNN-DTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/songxuanmo/MSGNN-DTA Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 11 drugs 37176031 Int J Mol Sci 2023
16 80.6 2071 DTINet Drug, Disease, Target, Side-effect Drug: SMILES, Target: the amino acid sequences SHGCL-DTI Heterogeneous Graph Convolutional Network (HGCN) Drug Target Interaction (DTI) https://github.com/TOJSSE-iData/SHGCL-DTI Case studies NA ADRA1B, CHRM1, CHRM2, CHRM3, HTR1A, HTR2B, HTR2C, GABRA4, OPRD1, SLC6A4 NA NA Top 20 drugs 37421738 Comput Biol Med 2023
17 80.5 393 NA Drug, Disease, Target , Side-effect Drug: chmical structure, Target: genome sequences DTINet Random Walk with Restart (RWR) Drug Target Interaction (DTI) https://github.com/luoyunan/DTINet Case studies NA COX proteins NA NA 3 drugs 28924171 Nat Commun 2017
18 80.4 1670 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
18 80.4 1670 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Breast cancer NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
18 80.4 1670 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Breast cancer NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
18 80.4 1670 LRSSL Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
18 80.4 1670 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
18 80.4 1670 Cdataset Drug, Disease Drug: SMILES, Disease: MeSH DRWBNCF Graph Convolutional Network (GCN),Multi Layer Perceptron (MLP) Drug Disease Association (DDA) https://github.com/luckymengmeng/DRWBNCF Case studies Breast cancer NA NA NA Top 10 drugs 35039838 Brief Bioinform 2022
19 80.3 1892 DrugBank Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_IC Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_E Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 HGBI Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_NR Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_GPCR Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 HGBI Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_NR Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_GPCR Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:779 (calcium voltage-gated channel subunit alpha1 S) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_IC Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 Yamanishi_E Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
19 80.3 1892 DrugBank Drug, Target Drug: chemical structure information, Target: target sequence PPAEDTI Deep Autoencoder Drug Target Interaction (DTI) https://github.com/LiYuechao1998/PPAEDTI Case studies NA hsa:775 (calcium voltage-gated channel subunit alpha1 C) NA NA Top 20 drugs 36301791 IEEE J Biomed Health Inform 2023
20 79.3 2179 Fdataset Drug, Disease, Target Drug: SMILES, Target: Sequence, Disease: MesH SiSGC (Simplifying Graph Convolution) CatBoost Drug Disease Association (DDA) https://github.com/MrPhil/SiSGC Case studies Breast neoplasms NA NA NA Top 20 drugs 38103039 J Chem Inf Model 2024
20 79.3 2179 Bdataset Drug, Disease, Target Drug: SMILES, Target: Sequence, Disease: MesH SiSGC (Simplifying Graph Convolution) CatBoost Drug Disease Association (DDA) https://github.com/MrPhil/SiSGC Case studies Breast neoplasms NA NA NA Top 20 drugs 38103039 J Chem Inf Model 2024
20 79.3 2179 Cdataset Drug, Disease, Target Drug: SMILES, Target: Sequence, Disease: MesH SiSGC (Simplifying Graph Convolution) CatBoost Drug Disease Association (DDA) https://github.com/MrPhil/SiSGC Case studies Breast neoplasms NA NA NA Top 20 drugs 38103039 J Chem Inf Model 2024
21 78.3 1615 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH HINGRL Random Forest (RF) Drug Disease Association (DDA) https://github.com/stevejobws/HINGRL Case studies Breast neoplasms NA NA NA Top 10 drugs 34891172 Brief Bioinform 2022
21 78.3 1615 NA Drug, Disease, Target Drug: SMILES, Disease: MeSH HINGRL Random Forest (RF) Drug Disease Association (DDA) https://github.com/stevejobws/HINGRL Case studies NA Clozapine NA NA Top 10 diseases 34891172 Brief Bioinform 2022
21 78.3 1615 NA Drug, Disease, Target Drug: SMILES, Disease: MeSH HINGRL Random Forest (RF) Drug Disease Association (DDA) https://github.com/stevejobws/HINGRL Case studies Breast neoplasms NA NA NA Top 10 drugs 34891172 Brief Bioinform 2022
21 78.3 1615 Fdataset Drug, Disease Drug: SMILES, Disease: MeSH HINGRL Random Forest (RF) Drug Disease Association (DDA) https://github.com/stevejobws/HINGRL Case studies NA Clozapine NA NA Top 10 diseases 34891172 Brief Bioinform 2022
22 78.1 2203 LRSSL Drug, Disease Chemical, Pharmacological, Therapeutic, Phenotypic, Genetic, Environment properties WMAGT Graph Convolutional Network,Graph Transformer,Neural Collaborative Filtering,Multilayer Perceptron Drug Disease Association (DDA) https://github.com/ShiHHe/WMAGT Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38378479 BMC Bioinformatics 2024
22 78.1 2203 Fdataset Drug, Disease Chemical, Pharmacological, Therapeutic, Phenotypic, Genetic, Environment properties WMAGT Graph Convolutional Network,Graph Transformer,Neural Collaborative Filtering,Multilayer Perceptron Drug Disease Association (DDA) https://github.com/ShiHHe/WMAGT Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38378479 BMC Bioinformatics 2024
22 78.1 2203 Cdataset Drug, Disease Chemical, Pharmacological, Therapeutic, Phenotypic, Genetic, Environment properties WMAGT Graph Convolutional Network,Graph Transformer,Neural Collaborative Filtering,Multilayer Perceptron Drug Disease Association (DDA) https://github.com/ShiHHe/WMAGT Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38378479 BMC Bioinformatics 2024
23 78 1644 DrugNet Drug, Disease Drug: Chemical structure, Disease: MeSH NMF-DR (Non-negative Matrix Factorization Drug Repurposing) Non-negative Matrix Factorization (NMF) Drug Disease Association (DDA) https://github.com/sshaghayeghs/NMF-DR Case studies Breast cancer NA NA NA Top 5 drugs 34875000 Bioinformatics 2022
23 78 1644 Cdataset Drug, Disease Drug: Chemical structure, Disease: MeSH NMF-DR (Non-negative Matrix Factorization Drug Repurposing) Non-negative Matrix Factorization (NMF) Drug Disease Association (DDA) https://github.com/sshaghayeghs/NMF-DR Case studies Breast cancer NA NA NA Top 5 drugs 34875000 Bioinformatics 2022
23 78 1644 Fdataset Drug, Disease Drug: Chemical structure, Disease: MeSH NMF-DR (Non-negative Matrix Factorization Drug Repurposing) Non-negative Matrix Factorization (NMF) Drug Disease Association (DDA) https://github.com/sshaghayeghs/NMF-DR Case studies Breast cancer NA NA NA Top 5 drugs 34875000 Bioinformatics 2022
23 78 1644 TL-HBGI Drug, Disease Drug: Chemical structure, Disease: MeSH NMF-DR (Non-negative Matrix Factorization Drug Repurposing) Non-negative Matrix Factorization (NMF) Drug Disease Association (DDA) https://github.com/sshaghayeghs/NMF-DR Case studies Breast cancer NA NA NA Top 5 drugs 34875000 Bioinformatics 2022
24 77.875 2079 BindingDB Drug, Target Drug: SMILES, Target: the amino acid sequences MULGA (Multi-view Learning and Graph Autoencoder framework) Multi-view Learning and Graph Autoencoder (GAE) Drug Target Interaction (DTI) https://github.com/jianiM/MULGA Case studies COVID-19 Spike glycoprotein NA NA Top 20 drugs 37610353 Bioinformatics 2023
24 77.875 2079 DrugBank (version 5.1.9) Drug, Target Drug: SMILES, Target: the amino acid sequences MULGA (Multi-view Learning and Graph Autoencoder framework) Multi-view Learning and Graph Autoencoder (GAE) Drug Target Interaction (DTI) https://github.com/jianiM/MULGA Case studies COVID-19 Spike glycoprotein NA NA Top 20 drugs 37610353 Bioinformatics 2023
24 77.875 2079 KIBA Drug, Target Drug: SMILES, Target: the amino acid sequences MULGA (Multi-view Learning and Graph Autoencoder framework) Multi-view Learning and Graph Autoencoder (GAE) Drug Target Interaction (DTI) https://github.com/jianiM/MULGA Case studies COVID-19 Spike glycoprotein NA NA Top 20 drugs 37610353 Bioinformatics 2023
24 77.875 2079 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences MULGA (Multi-view Learning and Graph Autoencoder framework) Multi-view Learning and Graph Autoencoder (GAE) Drug Target Interaction (DTI) https://github.com/jianiM/MULGA Case studies COVID-19 Spike glycoprotein NA NA Top 20 drugs 37610353 Bioinformatics 2023
25 77.7 2133 Cdataset Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Breast cancer NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
25 77.7 2133 LRSSL Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
25 77.7 2133 Fdataset Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
25 77.7 2133 LRSSL Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Breast cancer NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
25 77.7 2133 Fdataset Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Breast cancer NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
25 77.7 2133 Cdataset Drug, Disease NA DRAGNN Multi Layer Perception (MLP) Drug Disease Association (DDA) https://github.com/1yiw/DRAGNN Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 38019732 Brief Bioinform 2023
26 77.4 607 DTINet Drug, Disease, Target , Side-effect Drug: Morgan fingerprints, Target: target sequence NeoDTI (NEural integration of neighbOr information for DTI prediction) Matrix Factorization Drug Target Interaction (DTI) https://github.com/FangpingWan/NeoDTI Case studies NA NA NA Drug disease interaction Top 20 predictions 30561548 Bioinformatics 2019
27 77.3 957 NA Drug, Disease, Target NA BiFusion (Bipartite graph convolution network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/zcwang0702/BiFusion Case studies Breast carcinoma NA NA NA Top 5 drugs 32657387 Bioinformatics 2020
27 77.3 957 NA Drug, Disease, Target NA BiFusion (Bipartite graph convolution network) Graph Convolutional Network (GCN) Drug Disease Association (DDA) https://github.com/zcwang0702/BiFusion Case studies Parkinson’s Disease (PD) NA NA NA Top 10 drugs 32657387 Bioinformatics 2020
28 77.25 739 Fdataset Drug, Disease Drug: Fingerprint, Diseases: MeSH terms GIPAE (Gaussian interaction profile kernel and autoencoder) Deep Autoencoder,Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/GIPAE Case studies Obesity NA NA NA Top 20 drug 31534955 Biomed Res Int 2019
28 77.25 739 Fdataset Drug, Disease Drug: Fingerprint, Diseases: MeSH terms GIPAE (Gaussian interaction profile kernel and autoencoder) Deep Autoencoder,Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/GIPAE Case studies Alzheimer's Disease (AD) NA NA NA Top 20 drug 31534955 Biomed Res Int 2019
28 77.25 739 Cdataset Drug, Disease Drug: Fingerprint, Diseases: MeSH terms GIPAE (Gaussian interaction profile kernel and autoencoder) Deep Autoencoder,Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/GIPAE Case studies Obesity NA NA NA Top 20 drug 31534955 Biomed Res Int 2019
28 77.25 739 Cdataset Drug, Disease Drug: Fingerprint, Diseases: MeSH terms GIPAE (Gaussian interaction profile kernel and autoencoder) Deep Autoencoder,Support Vector Machine (SVM) Drug Disease Association (DDA) https://github.com/HanJingJiang/GIPAE Case studies Alzheimer's Disease (AD) NA NA NA Top 20 drug 31534955 Biomed Res Int 2019
29 77.2 949 NA Drug, Disease, Target Drug: SMILES, Target: target sequence data in FASTA format Disease: MeSH TS-SVD Random Forest (RF) Drug Disease Association (DDA) NA Case studies Non-Small Cell Lung Cancer (NSCLC) NA NA NA Top 10 drugs 32340956 IEEE Trans Nanobioscience 2020
30 76.8 1532 Cdataset Drug, Disease Drug: Chemical structure, Disease: MeSH LMFDA Inductive matrix Drug Disease Association (DDA) https://github.com/hupengwei/LMFDA_Dataset Case studies Ischemic stroke NA NA NA Top 10 drugs 34736437 BMC Med Inform Decis Mak 2021
30 76.8 1532 Fdataset Drug, Disease Drug: Chemical structure, Disease: MeSH LMFDA Inductive matrix Drug Disease Association (DDA) https://github.com/hupengwei/LMFDA_Dataset Case studies Type 2 Diabetes Mellitus (T2DM) NA NA NA Top 10 drugs 34736437 BMC Med Inform Decis Mak 2021
30 76.8 1532 Fdataset Drug, Disease Drug: Chemical structure, Disease: MeSH LMFDA Inductive matrix Drug Disease Association (DDA) https://github.com/hupengwei/LMFDA_Dataset Case studies Ischemic stroke NA NA NA Top 10 drugs 34736437 BMC Med Inform Decis Mak 2021
30 76.8 1532 Cdataset Drug, Disease Drug: Chemical structure, Disease: MeSH LMFDA Inductive matrix Drug Disease Association (DDA) https://github.com/hupengwei/LMFDA_Dataset Case studies Type 2 Diabetes Mellitus (T2DM) NA NA NA Top 10 drugs 34736437 BMC Med Inform Decis Mak 2021
31 76.6 1691 NA Drug, Target Drug: SMILES, Target: amino-acid sequences NA Convolutional Neural Network (CNN),Deep Neural Network (DNN),Random Forest (RF) Drug Target Interaction (DTI) https://github.com/Shkev/Sars-CoV-2-NSP-Predictions Case studies NA NA NA Drug target interaction 13 predictions 35468672 Front Biosci (Landmark Ed) 2022
32 76.5 1776 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences DeepFusion Graph Convolutional Network (GCN),Transformer Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 14 predictions 35219861 Methods 2022
32 76.5 1776 BIOSNAP Drug, Target Drug: SMILES, Target: the amino acid sequences DeepFusion Graph Convolutional Network (GCN),Transformer Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 14 predictions 35219861 Methods 2022
33 76.425 2070 Fdataset Drug, Disease Drug: RDKit fingerprints, Disease: MeSH TNA-DR (Tail-Node Augmentation for Drug Repositioning) Graph Neural Network (GNN) Drug Disease Association (DDA) NA Case studies Lung neoplasms NA NA NA Top 10 drugs 37418410 IEEE/ACM Trans Comput Biol Bioinform 2023
33 76.425 2070 Cdataset Drug, Disease Drug: RDKit fingerprints, Disease: MeSH TNA-DR (Tail-Node Augmentation for Drug Repositioning) Graph Neural Network (GNN) Drug Disease Association (DDA) NA Case studies Lung neoplasms NA NA NA Top 10 drugs 37418410 IEEE/ACM Trans Comput Biol Bioinform 2023
33 76.425 2070 LRSSL Drug, Disease Drug: RDKit fingerprints, Disease: MeSH TNA-DR (Tail-Node Augmentation for Drug Repositioning) Graph Neural Network (GNN) Drug Disease Association (DDA) NA Case studies Lung neoplasms NA NA NA Top 10 drugs 37418410 IEEE/ACM Trans Comput Biol Bioinform 2023
33 76.425 2070 RepoDB Drug, Disease Drug: RDKit fingerprints, Disease: MeSH TNA-DR (Tail-Node Augmentation for Drug Repositioning) Graph Neural Network (GNN) Drug Disease Association (DDA) NA Case studies Lung neoplasms NA NA NA Top 10 drugs 37418410 IEEE/ACM Trans Comput Biol Bioinform 2023
34 76.4 1394 DTINet Drug, Disease, Target, Side-effect Drug: structure, Target: sequence LUNAR Graph Convolutional Network (GCN) Drug Target Interaction (DTI) NA Case studies COVID-19 Nterleukin-l beta NA NA Top 5 drugs 34081583 IEEE/ACM Trans Comput Biol Bioinform 2021
34 76.4 1394 DTINet Drug, Disease, Target, Side-effect Drug: structure, Target: sequence LUNAR Graph Convolutional Network (GCN) Drug Target Interaction (DTI) NA Case studies COVID-19 ACE2 NA NA Top 8 drugs 34081583 IEEE/ACM Trans Comput Biol Bioinform 2021
34 76.4 1394 DTINet Drug, Disease, Target, Side-effect Drug: structure, Target: sequence LUNAR Graph Convolutional Network (GCN) Drug Target Interaction (DTI) NA Case studies COVID-19 Tumor necrosis factor NA NA Top 10 drugs 34081583 IEEE/ACM Trans Comput Biol Bioinform 2021
35 76.3 2145 Davis Drug, Target Drug: SMILES, Target: The amino acid Sequence. MdDTI Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/lhhu1999/MdDTI Case studies COVID-19 SARS-CoV-2 3C-like protease NA NA Top 5 drugs 37844375 Comput Biol Chem 2023
35 76.3 2145 KIBA Drug, Target Drug: SMILES, Target: The amino acid Sequence. MdDTI Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/lhhu1999/MdDTI Case studies COVID-19 SARS-CoV-2 3C-like protease NA NA Top 5 drugs 37844375 Comput Biol Chem 2023
36 76.1 298 NA Compound, Target Compound: SMILES, Target: Sequence REMAP Dual Regularized One-Class Collaborative Filtering Compound Protein Interaction (CPI) https://github.com/hansaimlim/REMAP Case studies Many types of cancer NA NA NA Top 7 drugs 27716836 PLoS Comput Biol 2016
36 76.1 1487 NA Drug, Gene NA GraphRepur Graph Neural Network (GNN) Drug Disease Association (DDA) https://github.com/cckamy/GraphRepur Case studies Breast cancer NA NA NA Top 30 drugs 33739367 Bioinformatics 2021
37 76 320 Fdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms TP-NRWRH Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/td1799/TP-NRWRH Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 28155639 BMC Bioinformatics 2016
37 76 2093 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences DGDTA Graph Attention Network (GAT),Graph Convolutional Network (GCN),Bidirectional Long Short-Term Memory (Bi-LSTM),Multilayer Convolutional Network Drug Target binding Affinity (DTA) https://github.com/luojunwei/DGDTA Case studies NA Receptor Tyrosine Kinases (RTKs) NA NA Top 1 drug 37777712 BMC Bioinformatics 2023
37 76 320 Cdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms TP-NRWRH Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/td1799/TP-NRWRH Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 28155639 BMC Bioinformatics 2016
37 76 2093 KIBA Drug, Target Drug: SMILES, Target: the amino acid sequences DGDTA Graph Attention Network (GAT),Graph Convolutional Network (GCN),Bidirectional Long Short-Term Memory (Bi-LSTM),Multilayer Convolutional Network Drug Target binding Affinity (DTA) https://github.com/luojunwei/DGDTA Case studies NA Receptor Tyrosine Kinases (RTKs) NA NA Top 1 drug 37777712 BMC Bioinformatics 2023
38 75.8 308 Negative dataset Drug, Target Drug: SMILES, Target: The primary sequence dtipred Random Forest (RF) Drug Target Interaction (DTI) http://bioinformatics.ua.pt/software/dtipred/ Case studies Methicillin-resistant Staphylococcus aureus (DNA-directed RNA polymerase subunit alpha_Q5HDY4, 30S ribosomal protein S12_Q5HID0, DNA-directed RNA polymerase subunit beta_Q5HID3, Accessory Sec system protein translocase subunit SecY2_Q5HCP4, 30S ribosomal protein S15_Q5HGF8, Elongation factor G_Q5HIC8, 50S ribosomal protein L22_Q5HDW3, 30S ribosomal protein S3_Q5HDW4, 50S ribosomal protein L13_Q5HDZ0, 50S ribosomal protein L25_Q5HIH4) NA NA Top 5 drugs 27893735 PLoS Comput Biol 2016
38 75.8 308 Positive dataset Drug, Target Drug: SMILES, Target: The primary sequence dtipred Random Forest (RF) Drug Target Interaction (DTI) http://bioinformatics.ua.pt/software/dtipred/ Case studies Methicillin-resistant Staphylococcus aureus (DNA-directed RNA polymerase subunit alpha_Q5HDY4, 30S ribosomal protein S12_Q5HID0, DNA-directed RNA polymerase subunit beta_Q5HID3, Accessory Sec system protein translocase subunit SecY2_Q5HCP4, 30S ribosomal protein S15_Q5HGF8, Elongation factor G_Q5HIC8, 50S ribosomal protein L22_Q5HDW3, 30S ribosomal protein S3_Q5HDW4, 50S ribosomal protein L13_Q5HDZ0, 50S ribosomal protein L25_Q5HIH4) NA NA Top 5 drugs 27893735 PLoS Comput Biol 2016
39 75.6 894 Training Data-(DrugBank (v4.3), TTD, PharmGKB) Drug, Disease, Target , Side-effect Drug: SMILES, targets: Uniprot ID AOPEDF (Arbitrary-Order Proximity Embedded Deep Forest) Deep Forest Classifier Drug Target Interaction (DTI) https://github.com/ChengF-Lab/AOPEDF Case studies Substance abuse disorder G-protein-coupled receptors (GPCRs) NA NA Top 20 drugs 31971579 Bioinformatics 2020
39 75.6 894 Validations-DrugCentral Drug, Target Drug: SMILES, targets: Uniprot ID AOPEDF (Arbitrary-Order Proximity Embedded Deep Forest) Deep Forest Classifier Drug Target Interaction (DTI) https://github.com/ChengF-Lab/AOPEDF Case studies Substance abuse disorder G-protein-coupled receptors (GPCRs) NA NA Top 20 drugs 31971579 Bioinformatics 2020
39 75.6 894 Validations-ChEMBL Drug, Target Drug: SMILES, targets: Uniprot ID AOPEDF (Arbitrary-Order Proximity Embedded Deep Forest) Deep Forest Classifier Drug Target Interaction (DTI) https://github.com/ChengF-Lab/AOPEDF Case studies Substance abuse disorder G-protein-coupled receptors (GPCRs) NA NA Top 20 drugs 31971579 Bioinformatics 2020
40 74.9 1623 NA Drug Drug: chemical structures, Target: protein sequence DOTA (Drug repositioning approach using Optimal Transport for Alzheimer's disease) Deep Autoencoder (Multi-modal,Wasserstein variational) Drug Disease Association (DDA) https://github.com/fawer/DOTA Special studies Alzheimer's Disease (AD) NA NA NA Top 20 drugs 35204697 Biomolecules 2022
41 74.3 694 NA Drug, Target Drug: Chemical structure, Target: target sequence LASSO Deep Neural Network (DNN) Drug Target Interaction (DTI) NA Case studies Breast Cancer NA NA NA Top 5 drugs 30939415 Comput Biol Chem 2019
42 73.9 2102 DDKG-V1 Drug, Disease, Target, Gene NA DrugRep-HeSiaGraph Siamese Neural Network (SNN) Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-HeSiaGraph Case studies COVID-19 Dipeptidyl Peptidase 4 (DPP-4) NA NA Top 10 drugs 37789314 BMC Bioinformatics 2023
43 73.7 1366 NA Drug, Target Molecular descriptors NA Random Forest (RF) Drug Disease Association (DDA) https://github.com/sblab/DTN Special studies Hyperlipidemia NA NA NA Top 9 drugs 34030115 Comput Biol Chem 2021
43 73.7 1032 Fdataset Drug, Disease Drug: SMILES, Disease: Phenotye NEDD Random Forest (RF),Random Walk (RW) Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 15 predictions 32938396 BMC Bioinformatics 2020
44 73.2 1981 DrugBank Drug, Target Drug: SMILES, Target: the amino acid sequences GIFDTI Convolutional Neural Network (CNN),Transformer Drug Target Interaction (DTI) https://github.com/zhaoqichang/GIFDTI Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 20 drugs 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
44 73.2 1981 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences GIFDTI Convolutional Neural Network (CNN),Transformer Drug Target Interaction (DTI) https://github.com/zhaoqichang/GIFDTI Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 20 drugs 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
44 73.2 1981 KIBA Drug, Target Drug: SMILES, Target: the amino acid sequences GIFDTI Convolutional Neural Network (CNN),Transformer Drug Target Interaction (DTI) https://github.com/zhaoqichang/GIFDTI Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 20 drugs 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
44 73.2 1981 BindingDB Drug, Target Drug: SMILES, Target: the amino acid sequences GIFDTI Convolutional Neural Network (CNN),Transformer Drug Target Interaction (DTI) https://github.com/zhaoqichang/GIFDTI Case studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 20 drugs 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
45 72.95 2134 External Set-1 Drug Drug: SMILES NA Graph Attention Network (GAT),Graph Isomorphism Network (GIN) Drug Target binding Affinity (DTA) NA Special studies COVID-19 SARS-CoV-2 main protease (Mpro) NA NA Top 10 drugs 37960886 J Chem Inf Model 2023
45 72.95 2134 External Set-2 Drug Drug: SMILES NA Graph Attention Network (GAT),Graph Isomorphism Network (GIN) Drug Target binding Affinity (DTA) NA Special studies COVID-19 SARS-CoV-2 main protease (Mpro) NA NA Top 10 drugs 37960886 J Chem Inf Model 2023
45 72.95 2134 DRH Drug Drug: SMILES NA Graph Attention Network (GAT),Graph Isomorphism Network (GIN) Drug Target binding Affinity (DTA) NA Special studies COVID-19 SARS-CoV-2 main protease (Mpro) NA NA Top 10 drugs 37960886 J Chem Inf Model 2023
45 72.95 2134 NA Drug Drug: SMILES NA Graph Attention Network (GAT),Graph Isomorphism Network (GIN) Drug Target binding Affinity (DTA) NA Special studies COVID-19 SARS-CoV-2 main protease (Mpro) NA NA Top 10 drugs 37960886 J Chem Inf Model 2023
46 72.6 1614 DrugBank Drug Drug: enzymes, side effects, substructures and targets GCNMK Graph Convolutional Network with multi-kernel (GCNMK) Drug Drug Interaction (DDI) NA Case studies Lung neoplasms NA NA NA Top 10 drugs 34864856 Brief Bioinform 2022
46 72.6 1614 DrugBank Drug Drug: enzymes, side effects, substructures and targets GCNMK Graph Convolutional Network with multi-kernel (GCNMK) Drug Drug Interaction (DDI) NA Case studies Breast neoplasms NA NA NA Top 10 drugs 34864856 Brief Bioinform 2022
46 72.6 1614 DrugBank Drug Drug: enzymes, side effects, substructures and targets GCNMK Graph Convolutional Network with multi-kernel (GCNMK) Drug Drug Interaction (DDI) NA Case studies Colorectal neoplasms NA NA NA Top 10 drugs 34864856 Brief Bioinform 2022
47 72.5 741 NA Drug, Target Drug: structure, Target: sequence NA Low Rank Embedding (LRE) Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 30 predictions 28541222 IEEE/ACM Trans Comput Biol Bioinform 2019
47 72.5 764 NA Drug, Target Drug: structure, Target: sequence MCM Matrix Completion Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 26 predictions 31538961 IET Syst Biol 2019
48 72.35 812 External validation set NA NA deepDR Multimodal deep autoencoder (MDA),Collective variational autoencoder (cVAE),Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/ChengF-Lab/deepDR Case studies Alzheimer's Disease (AD) NA NA NA Top 20 drugs 31116390 Bioinformatics 2019
48 72.35 812 External validation set NA NA deepDR Multimodal deep autoencoder (MDA),Collective variational autoencoder (cVAE),Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/ChengF-Lab/deepDR Case studies Parkinson’s Disease (PD) NA NA NA Top 20 drugs 31116390 Bioinformatics 2019
48 72.35 812 NA Drug, Disease, Target , Side-effect NA deepDR Multimodal deep autoencoder (MDA),Collective variational autoencoder (cVAE),Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/ChengF-Lab/deepDR Case studies Alzheimer's Disease (AD) NA NA NA Top 20 drugs 31116390 Bioinformatics 2019
48 72.35 812 NA Drug, Disease, Target , Side-effect NA deepDR Multimodal deep autoencoder (MDA),Collective variational autoencoder (cVAE),Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/ChengF-Lab/deepDR Case studies Parkinson’s Disease (PD) NA NA NA Top 20 drugs 31116390 Bioinformatics 2019
49 72.3 1765 BindingDB Drug, Target Drug: SMILES, Target: binding site AttentionSiteDTI Bidirectional Long Short-Term Memory (Bi-LSTM),Graph Convolutional Network (GCN),Multi-Layer Perceptron (MLP) Drug Target Interaction (DTI) https://github.com/yazdanimehdi/AttentionSiteDTI Case studies COVID-19 SARS-CoV-2 NA NA Top 7 drugs 35817396 Brief Bioinform 2022
49 72.3 125 NA Drug, Disease Drug: structure chemical, target, side-effect; Diseases: disease phenotypes, disease ontology, disease genes DDR Block Coordinate Descent (BCD) Drug Disease Association (DDA) NA Case studies Systemic Lupus Erythematosus (SLE) NA NA NA Top 10 drugs 25954437 AMIA Annu Symp Proc 2014
49 72.3 1765 DUD-E Drug, Target Drug: SMILES, Target: binding site AttentionSiteDTI Bidirectional Long Short-Term Memory (Bi-LSTM),Graph Convolutional Network (GCN),Multi-Layer Perceptron (MLP) Drug Target Interaction (DTI) https://github.com/yazdanimehdi/AttentionSiteDTI Case studies COVID-19 SARS-CoV-2 NA NA Top 7 drugs 35817396 Brief Bioinform 2022
49 72.3 1765 Human Drug, Target Drug: SMILES, Target: binding site AttentionSiteDTI Bidirectional Long Short-Term Memory (Bi-LSTM),Graph Convolutional Network (GCN),Multi-Layer Perceptron (MLP) Drug Target Interaction (DTI) https://github.com/yazdanimehdi/AttentionSiteDTI Case studies COVID-19 SARS-CoV-2 NA NA Top 7 drugs 35817396 Brief Bioinform 2022
49 72.3 125 NA Drug, Disease Drug: structure chemical, target, side-effect; Diseases: disease phenotypes, disease ontology, disease genes DDR Block Coordinate Descent (BCD) Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 25954437 AMIA Annu Symp Proc 2014
50 72.15 2125 RepoDB Drug, Disease NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Congestive heart failure NA NA NA Top 2 drugs 37925215 Artif Intell Med 2023
50 72.15 2125 NA Drug, Target, Pathway, Phenotype NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Congestive heart failure NA NA NA Top 2 drugs 37925215 Artif Intell Med 2023
50 72.15 2125 RepoDB Drug, Disease NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Rheumatoid arthritis NA NA NA Top 2 drugs 37925215 Artif Intell Med 2023
50 72.15 2125 NA Drug, Target, Pathway, Phenotype NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Rheumatoid arthritis NA NA NA Top 2 drugs 37925215 Artif Intell Med 2023
50 72.15 2125 RepoDB Drug, Disease NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Left ventricular hypertrophy NA NA NA Top 1 drug 37925215 Artif Intell Med 2023
50 72.15 2125 NA Drug, Target, Pathway, Phenotype NA BEHOR Graph Neural Network (GNN) Drug Disease Association (DDA) https://zenodo.org/record/8402843 Case studies Left ventricular hypertrophy NA NA NA Top 1 drug 37925215 Artif Intell Med 2023
51 72.1 2022 KEGG Drug, Disease, Gene, Pathway Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Breast cancer NA NA NA Top 10 drugs 37322032 Nat Commun 2023
51 72.1 2022 Multi-scale interactome (MSI) network Drug, Disease, Gene Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Breast cancer NA NA NA Top 10 drugs 37322032 Nat Commun 2023
51 72.1 2022 KEGG Drug, Disease, Gene, Pathway Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 37322032 Nat Commun 2023
51 72.1 2022 Multi-scale interactome (MSI) network Drug, Disease, Gene Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 37322032 Nat Commun 2023
51 72.1 2022 HetioNet Drug, Disease, Gene, Pathway Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Breast cancer NA NA NA Top 10 drugs 37322032 Nat Commun 2023
51 72.1 2022 HetioNet Drug, Disease, Gene, Pathway Drug: ATC, Disease: MeSH DREAMwalk Multi-layer random walk Drug Disease Association (DDA) https://github.com/eugenebang/DREAMwalk Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 37322032 Nat Commun 2023
52 71.75 424 NA Drug, Disease, Gene Drug: SMILES, Disease: MeSH SSGC (Semi-Supervised Graph Cut) Semi-supervised graph cut Drug Disease Association (DDA) NA Case studies Huntington Disease (HD) NA NA NA Top 20 drugs 29297383 BMC Med Genomics 2017
52 71.75 424 NA Drug, Disease, Gene Drug: SMILES, Disease: MeSH SSGC (Semi-Supervised Graph Cut) Semi-supervised graph cut Drug Disease Association (DDA) NA Case studies Non-Small Cell Lung Cancer (NSCLC) NA NA NA Top 20 drugs 29297383 BMC Med Genomics 2017
52 71.75 424 NA Drug, Disease, Gene Drug: SMILES, Disease: MeSH SSGC (Semi-Supervised Graph Cut) Semi-supervised graph cut Drug Disease Association (DDA) NA Case studies Alcohol dependence NA NA NA Top 20 drugs 29297383 BMC Med Genomics 2017
52 71.75 424 NA Drug, Disease, Gene Drug: SMILES, Disease: MeSH SSGC (Semi-Supervised Graph Cut) Semi-supervised graph cut Drug Disease Association (DDA) NA Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 20 drugs 29297383 BMC Med Genomics 2017
53 71.7 771 Fdataset Drug, Disease Drug: SMILES, Proten: the amino acid sequence, Diseases: MeSH terms RWHNDR (Random Walk on a Heterogeneous Network for Drug Repositioning) Random Walk Drug Disease Association (DDA) NA Case studies Huntington Disease (HD) NA NA NA Top 5 drugs 29994051 IEEE/ACM Trans Comput Biol Bioinform 2019
53 71.7 771 Fdataset Drug, Disease Drug: SMILES, Proten: the amino acid sequence, Diseases: MeSH terms RWHNDR (Random Walk on a Heterogeneous Network for Drug Repositioning) Random Walk Drug Disease Association (DDA) NA Case studies Parkinson’s Disease (PD) NA NA NA Top 5 drugs 29994051 IEEE/ACM Trans Comput Biol Bioinform 2019
53 71.7 771 Fdataset Drug, Disease Drug: SMILES, Proten: the amino acid sequence, Diseases: MeSH terms RWHNDR (Random Walk on a Heterogeneous Network for Drug Repositioning) Random Walk Drug Disease Association (DDA) NA Case studies Breast cancer NA NA NA Top 5 drugs 29994051 IEEE/ACM Trans Comput Biol Bioinform 2019
53 71.7 771 Fdataset Drug, Disease Drug: SMILES, Proten: the amino acid sequence, Diseases: MeSH terms RWHNDR (Random Walk on a Heterogeneous Network for Drug Repositioning) Random Walk Drug Disease Association (DDA) NA Case studies Lung cancer NA NA NA Top 5 drugs 29994051 IEEE/ACM Trans Comput Biol Bioinform 2019
54 71.2 997 NA Drug Drug: structure, distance, target CATNIP XGBoost Drug Drug Interaction (DDI) https://github.com/coryandar/CATNIP Case studies Parkinson’s Disease (PD) NA NA NA 2 drugs 32764756 PLoS Comput Biol 2020
54 71.2 997 NA Drug Drug: structure, distance, target CATNIP XGBoost Drug Drug Interaction (DDI) https://github.com/coryandar/CATNIP Case studies Type 2 Diabetes Mellitus (T2DM) NA NA NA 1 drug 32764756 PLoS Comput Biol 2020
55 70.9 1796 Zhang's dataset Drug, Disease Drug: SMILES, Disease: Mesh semantic GraphPK (Graph-based Prior Knowledge) Multimodal neural network Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 10 predictions 34375284 IEEE/ACM Trans Comput Biol Bioinform 2022
55 70.9 1796 Zhang's dataset Drug, Disease Drug: SMILES, Disease: Mesh semantic GraphPK (Graph-based Prior Knowledge) Multimodal neural network Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 10 predictions 34375284 IEEE/ACM Trans Comput Biol Bioinform 2022
55 70.9 1796 Amazon's dataset Drug, Disease Drug: SMILES, Disease: Mesh semantic GraphPK (Graph-based Prior Knowledge) Multimodal neural network Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 10 predictions 34375284 IEEE/ACM Trans Comput Biol Bioinform 2022
56 70.85 1798 dataset 2 Drug, Disease, Gene NA NEDNBI Network-Based Inference Drug Disease Association (DDA) https://github.com/Qli97/NEDNBI Case studies COVID-19 NA NA NA Top 20 drugs 35338586 Mol Inform 2022
56 70.85 1798 dataset 1 Drug, Disease, Gene NA NEDNBI Network-Based Inference Drug Disease Association (DDA) https://github.com/Qli97/NEDNBI Case studies COVID-19 NA NA NA Top 20 drugs 35338586 Mol Inform 2022
57 70.8 1516 Zhang's book Drug, Disease Drug: chemical structure, side-effect; Disease: UMLS DRDA Deep Autoencoder,Adaptive Fusion Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 34717542 BMC Bioinformatics 2021
57 70.8 1516 Zhang's book Drug, Target Drug: chemical structure, side-effect; Disease: UMLS DRDA Deep Autoencoder,Adaptive Fusion Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 34717542 BMC Bioinformatics 2021
57 70.8 1516 Zhang's book Side-effect Drug: chemical structure, side-effect; Disease: UMLS DRDA Deep Autoencoder,Adaptive Fusion Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 34717542 BMC Bioinformatics 2021
58 70.4 1866 Fdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 1866 Bdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 150 Yamanishi_GPCR Drug, Target Drug: chemical sturcture, Target: target sequence NA Adaptive combination Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 5 predictions 26543857 Biomed Res Int 2015
58 70.4 1866 Fdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Breast cancer NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 1866 Bdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Breast cancer NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 150 Yamanishi_NR Drug, Target Drug: chemical sturcture, Target: target sequence NA Adaptive combination Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 5 predictions 26543857 Biomed Res Int 2015
58 70.4 150 Yamanishi_E Drug, Target Drug: chemical sturcture, Target: target sequence NA Adaptive combination Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 5 predictions 26543857 Biomed Res Int 2015
58 70.4 1866 Cdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 150 Yamanishi_IC Drug, Target Drug: chemical sturcture, Target: target sequence NA Adaptive combination Drug Target Interaction (DTI) NA Case studies NA NA NA Drug target interaction Top 5 predictions 26543857 Biomed Res Int 2015
58 70.4 1866 Cdataset Drug, Disease, Target Drug: SMILES, Disease: MeSH, Target: sequence DDAGDL Geometric Deep Learning (GDL),XGBoost Drug Disease Association (DDA) https://github.com/stevejobws/DDAGDL Case studies Breast cancer NA NA NA Top 10 drugs 36125202 Brief Bioinform 2022
58 70.4 2046 aBiofilm Drug Drug: SMILES, Anti-Biofilm Support Vector Machine (SVM) Drug Target Interaction (DTI) https://bioinfo.imtech.res.in/manojk/antibiofilm/ Case studies Antimicrobial resistance biofilm NA NA Top 25 drugs 37356913 J Mol Biol 2023
59 70.1 789 NA Drug, Disease Drug: SMILES, Diseases: MeSH terms NA Non-linear computational approach Drug Disease Association (DDA) http://bioinformatics.aut.ac.ir/drug-disc/ (Data) Case studies NA NA NA Drug disease interaction Top 16 predictions 31726977 BMC Bioinformatics 2019
60 70 14 Fdataset Drug, Disease Drug: SMILES, Gene sequence , GO, side-effect, PPI network; Diseases: MeSH, Genetic PREDICT (PREdicting Drug IndiCaTions) Logistic Regression Drug Disease Association (DDA) NA Case studies Migrane NA NA NA 1 drug 21654673 Mol Syst Biol 2011
60 70 14 Fdataset Drug, Disease Drug: SMILES, Gene sequence , GO, side-effect, PPI network; Diseases: MeSH, Genetic PREDICT (PREdicting Drug IndiCaTions) Logistic Regression Drug Disease Association (DDA) NA Case studies Non-papillary renal cell cancer NA NA NA 1 drug 21654673 Mol Syst Biol 2011
61 69.8 2160 DrugRepV Drug Drug: SMILES, Anti-Dengue Support Vector Machine (SVM),Artificial Neural Network (ANN),k-Nearest Neighbor (kNN),Random Forest (RF) Drug Disease Association (DDA) NA Special studies Dengue NA NA NA Top 25 drugs 38257744 Viruses 2023
62 69.4 1769 NA Drug, Target, Pathway NA MSDF-CNN Graph Convolutional Network (GCN) Drug Target Interaction (DTI) https://github.com/lemonfino/MSDF-CNN Special studies Parkinson’s Disease (PD) HTR2A NA NA Top 10 drugs 35897954 Molecules 2022
63 69.38 122 NA Drug, Disease, Target Drug: SMILES, Target: target sequence, Disease: MeSH terms TL_HGBI (Triple Layer Heterogeneous Graph Based Inference) Heterogeneous Graph Based Inference (HGBI) Drug Disease Association (DDA) NA Case studies Alcohol dependence NA NA NA Top 10 drugs 24974205 Bioinformatics 2014
63 69.38 122 NA Drug, Disease, Target Drug: SMILES, Target: target sequence, Disease: MeSH terms TL_HGBI (Triple Layer Heterogeneous Graph Based Inference) Heterogeneous Graph Based Inference (HGBI) Drug Disease Association (DDA) NA Case studies Small Cell Lung Cancer (SCLC) NA NA NA Top 10 drugs 24974205 Bioinformatics 2014
63 69.38 122 NA Drug, Disease, Target Drug: SMILES, Target: target sequence, Disease: MeSH terms TL_HGBI (Triple Layer Heterogeneous Graph Based Inference) Heterogeneous Graph Based Inference (HGBI) Drug Disease Association (DDA) NA Case studies Polysubstance abuse NA NA NA Top 10 drugs 24974205 Bioinformatics 2014
63 69.38 122 NA Drug, Disease, Target Drug: SMILES, Target: target sequence, Disease: MeSH terms TL_HGBI (Triple Layer Heterogeneous Graph Based Inference) Heterogeneous Graph Based Inference (HGBI) Drug Disease Association (DDA) NA Case studies Huntington Disease (HD) NA NA NA Top 10 drugs 24974205 Bioinformatics 2014
63 69.38 122 NA Drug, Disease, Target Drug: SMILES, Target: target sequence, Disease: MeSH terms TL_HGBI (Triple Layer Heterogeneous Graph Based Inference) Heterogeneous Graph Based Inference (HGBI) Drug Disease Association (DDA) NA Case studies Non-Small Cell Lung Cancer (NSCLC) NA NA NA Top 10 drugs 24974205 Bioinformatics 2014
64 69.1 1913 drug ECR Drug, Disease NA DRONet Network embedding (NE) Drug Disease Association (DDA) https://github.com/yangkuoone/DRONet Case studies Diabetes NA NA NA Top 10 drugs 36562715 Brief Bioinform 2023
65 68.9 2098 NA Drug, Disease, Target, miRNA NA MTLDR (Multi-task learning framework for drug repurposing) Graph Convolutional Network (GCN) Drug Disease Association (DDA) NA Case studies Tourette's Syndrome NA NA NA Top 10 drugs 37516260 Methods 2023
65 68.9 813 DTD Drug, Disease, Target Drug: chemical structure, Target: the amino acid sequences NA Tensor decomposition Drug Disease Target associations NA Case studies NA NA NA Drug target interaction Top 10 predictions 31839008 BMC Bioinformatics 2019
65 68.9 813 Cancer subset Drug, Disease, Target Drug: chemical structure, Target: the amino acid sequences NA Tensor decomposition Drug Disease Target associations NA Case studies NA NA NA Drug target interaction Top 10 predictions 31839008 BMC Bioinformatics 2019
65 68.9 2098 NA Drug, Disease, Target, miRNA NA MTLDR (Multi-task learning framework for drug repurposing) Graph Convolutional Network (GCN) Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 37516260 Methods 2023
66 68.8 2167 GP-KG Drug, Disease, Gene NA MPTN CompGCN,Transformer,InteractE Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 38043469 Comput Biol Med 2024
66 68.8 2167 OpenBioLink Drug, Disease, Target NA MPTN CompGCN,Transformer,InteractE Drug Disease Association (DDA) NA Case studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 38043469 Comput Biol Med 2024
67 68.7 2091 LINCS L1000 Drug, Gene NA DGCL (Dynamic hyperGraph Contrastive Learning) Graph Neural Network (GNN),Multi Layer Perception (MLP) Drug Gene Interaction (DGI) https://github.com/wentao228/DGCL Case studies NA HMOX1 NA NA Top 10 drugs 37864294 Brief Bioinform 2023
67 68.7 2091 DrugBank Drug, Gene NA DGCL (Dynamic hyperGraph Contrastive Learning) Graph Neural Network (GNN),Multi Layer Perception (MLP) Drug Gene Interaction (DGI) https://github.com/wentao228/DGCL Case studies NA HMOX1 NA NA Top 10 drugs 37864294 Brief Bioinform 2023
67 68.7 2091 DGIdb Drug, Gene NA DGCL (Dynamic hyperGraph Contrastive Learning) Graph Neural Network (GNN),Multi Layer Perception (MLP) Drug Gene Interaction (DGI) https://github.com/wentao228/DGCL Case studies NA HMOX1 NA NA Top 10 drugs 37864294 Brief Bioinform 2023
68 68.5 672 NA Gene, Celllines NA NA Deep neural Network (DNN),Support Vector Machine (SVM),Random Forest (RF),Gradient Boosted Machine with trees (GBM),logistic regression with elastic net regularization (EN) Drug Disease Association (DDA) NA Special studies Schizophrenia NA NA NA Top 8 drugs 30010603 IEEE J Biomed Health Inform 2019
68 68.5 1768 NA Drug, Disease, Target NA NTD-DR Nonnegative tensor decomposition Drug Disease Association (DDA) https://github.com/AliJam82/NTD-DR Case studies Breast ductal carcinoma, Prostate cancer, Pancreatic neoplasms, Colorectal neoplasms, Small cell lung carcinoma NA NA NA Top 50 drugs 35862409 PLoS One 2022
68 68.5 672 NA Gene, Celllines NA NA Deep neural Network (DNN),Support Vector Machine (SVM),Random Forest (RF),Gradient Boosted Machine with trees (GBM),logistic regression with elastic net regularization (EN) Drug Disease Association (DDA) NA Special studies Depressive Disorder NA NA NA Top 8 drugs 30010603 IEEE J Biomed Health Inform 2019
69 68.2 192 NA Drug, Disease Disease: Phenotypic terms PhenoPredict The iterative network-based ranking algorithm Drug Disease Association (DDA) NA Special studies Schizophrenia NA NA NA Top 20 drugs 26151312 J Biomed Inform 2015
70 68.1 467 NA Drug, Target, Side-effect Drug: chemical properties, target targets, side-effect NA Pareto dominance,Collaborative filtering Drug Disease Association (DDA) NA NA NA NA NA Drug disease interaction Top 20 predictions 29649971 BMC Bioinformatics 2018
71 67.8 2015 NA Drug, Gene NA DTSEA (Drug Target Set Enrichment Analysis) Random Walk with Restart (RWR) Drug Disease Association (DDA) https://github.com/hanjunwei-lab/DTSEAData Special studies COVID-19 NA NA NA Top 10 drugs 37105108 Comput Biol Med 2023
72 67.3 1836 NA Drug, Target Drug: Fingerprint, KUALA (Kinase drUgs mAchine Learning frAmework) Naïve Bayes (NB),Logistic regression (LR),Support Vector Machine (SVM),Decision Tree (DT),Random Forest (RF),Neural Network (NNet),eXtreme Gradient Boosting (XGBoost),K-Nearest Neighbour (K-NN),Classification and Regression Tree (CART),Least Absolute Shrinkage and Selection Operator (LASSO),Ridge Regression (RIDGE),Elastic net regression (ELNET) Drug Target Interaction (DTI) https://github.com/molinfrimed/multi-kinases Case studies NA Kinases NA Drug target interaction 5 pedictions 36284125 Sci Rep 2022
73 67 1937 Gottlieb dataset (Fdataset) Drug, Disease Drug: SMILES, Disease: the medical description PUON Matrix Factorization Drug Disease Association (DDA) NA Case studies NA Doxorubicin, Gemcitabine, Vincristine, Methotrexate, Risperidone NA NA Top 5 diseases 36197871 IEEE/ACM Trans Comput Biol Bioinform 2023
73 67 1937 Cdataset Drug, Disease Drug: SMILES, Disease: the medical description PUON Matrix Factorization Drug Disease Association (DDA) NA Case studies NA Doxorubicin, Gemcitabine, Vincristine, Methotrexate, Risperidone NA NA Top 5 diseases 36197871 IEEE/ACM Trans Comput Biol Bioinform 2023
73 67 1937 DNdataset Drug, Disease Drug: SMILES, Disease: the medical description PUON Matrix Factorization Drug Disease Association (DDA) NA Case studies NA Doxorubicin, Gemcitabine, Vincristine, Methotrexate, Risperidone NA NA Top 5 diseases 36197871 IEEE/ACM Trans Comput Biol Bioinform 2023
73 67 1937 Ldataset Drug, Disease Drug: SMILES, Disease: the medical description PUON Matrix Factorization Drug Disease Association (DDA) NA Case studies NA Doxorubicin, Gemcitabine, Vincristine, Methotrexate, Risperidone NA NA Top 5 diseases 36197871 IEEE/ACM Trans Comput Biol Bioinform 2023
74 66.8 2181 BindingDB Drug, Target Drug: SMILES NA Extra tree classifier (ETC) Drug Target Interaction (DTI) NA Special studies NA Epidermal Growth Factor Receptor (EGFR) NA NA Top 9 drugs 38000720 Eur J Pharmacol 2024
75 66.65 1973 Negative set Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies Atopic Eczema NA NA NA Top 4 drugs 37023229 J Chem Inf Model 2023
75 66.65 1973 RepoDB Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies COVID-19 NA NA NA Top 6 drugs 37023229 J Chem Inf Model 2023
75 66.65 1973 Negative set Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies Contact Dermatitis NA NA NA Top 2 drugs 37023229 J Chem Inf Model 2023
75 66.65 1973 RepoDB Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies Atopic Eczema NA NA NA Top 4 drugs 37023229 J Chem Inf Model 2023
75 66.65 1973 RepoDB Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies Contact Dermatitis NA NA NA Top 2 drugs 37023229 J Chem Inf Model 2023
75 66.65 1973 Negative set Drug, Disease NA DrugRep-KG Logistic Regression Drug Disease Association (DDA) https://github.com/CBRC-lab/DrugRep-KG Case studies COVID-19 NA NA NA Top 6 drugs 37023229 J Chem Inf Model 2023
76 66.2 386 Yamanishi_NR Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies NA DNA topoisomerase 2-alpha (P11388) NA NA 31 drugs 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_IC Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies NA DNA topoisomerase 2-alpha (P11388) NA NA 31 drugs 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_NR Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies Alzheimer's Disease (AD) (D(1A), D(2) and D3 dopamine receptors (P21728, P14416 and P35462), alpha-1A and alpha-1B adrenergic receptor (P35348 and P35368), 5-hydroxytryptamine receptors (P28223) and potassium voltage-gated channel subfamily H member 2(Q12809) NA NA NA 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_IC Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies Alzheimer's Disease (AD) (D(1A), D(2) and D3 dopamine receptors (P21728, P14416 and P35462), alpha-1A and alpha-1B adrenergic receptor (P35348 and P35368), 5-hydroxytryptamine receptors (P28223) and potassium voltage-gated channel subfamily H member 2(Q12809) NA NA NA 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_GPCR Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies NA DNA topoisomerase 2-alpha (P11388) NA NA 31 drugs 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_E Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies NA DNA topoisomerase 2-alpha (P11388) NA NA 31 drugs 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_E Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies Alzheimer's Disease (AD) (D(1A), D(2) and D3 dopamine receptors (P21728, P14416 and P35462), alpha-1A and alpha-1B adrenergic receptor (P35348 and P35368), 5-hydroxytryptamine receptors (P28223) and potassium voltage-gated channel subfamily H member 2(Q12809) NA NA NA 28808275 Sci Rep 2017
76 66.2 386 Yamanishi_GPCR Drug, Target Drug: molecule, Target: target sequence PUDTI Support Vector Machine (SVM) Drug Target Interaction (DTI) NA Case studies Alzheimer's Disease (AD) (D(1A), D(2) and D3 dopamine receptors (P21728, P14416 and P35462), alpha-1A and alpha-1B adrenergic receptor (P35348 and P35368), 5-hydroxytryptamine receptors (P28223) and potassium voltage-gated channel subfamily H member 2(Q12809) NA NA NA 28808275 Sci Rep 2017
77 65.6 573 Fdataset Drug, Disease Drug: chemical substructures, Disease: MeSH RLSDR (Regularized Least Square for Drug Repositioning) Regularized Least Square Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 19 predictions 29700660 Acta Biotheor 2018
77 65.6 573 Fdataset Drug, Disease Drug: chemical substructures, Disease: MeSH RLSDR (Regularized Least Square for Drug Repositioning) Regularized Least Square Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 19 predictions 29700660 Acta Biotheor 2018
77 65.6 573 DNdataset Drug, Disease NA RLSDR (Regularized Least Square for Drug Repositioning) Regularized Least Square Drug Disease Association (DDA) NA Case studies NA NA NA Drug disease interaction Top 19 predictions 29700660 Acta Biotheor 2018
78 65.5 2087 NA Drug, Disease, Target, Side-effect Drug: SMILES, Target: the amino acid sequences BG-DTI Convolutional Neural Network (CNN),Graph Neural Network (GNN),Graph Attention Network (GAT),Support Vector Machine (SVM) Drug Target Interaction (DTI) https://github.com/wyx2012/BG-DTI NA NA NA NA NA NA 37764321 Molecules 2023
79 65 1396 DTINet Drug, Disease, Target NA DDTE Graph Embedding Algorithm Drug Target Interaction (DTI) NA Case studies NA NA NA Drug disease interaction 3 predictions 34119691 J Biomed Inform 2021
80 64.9 1306 NA Drug, Virus Drug: chemical structure, Virus: d2* dissimilarity/distance (at k=6) between the viral genome sequences DVA (Drug Virus Association) Matrix Completion Drug Virus Association (DVA) www.github.com/AanchalMongia/DVA Case studies COVID-19 SARS-CoV-2 NA NA Top 6 drugs 33907209 Sci Rep 2021
81 64.8 1814 NA Drug, chemical NA NA Knowledge Graph Embedding Drug Disease Association (DDA) NA Special studies Alzheimer's Disease (AD) NA NA NA Top 10 drugs 36180861 BMC Bioinformatics 2022
82 64.6 2116 NA Drug Drug: SMILES NA Graph Convolutional Network (GCN),XGBoost Drug Target Interaction (DTI) NA Special studies Parkinson’s Disease (PD) PINK1 (Phosphatase and Tensin homologue-induced kinase 1) NA NA Top 22 drugs 37544165 Comput Methods Programs Biomed 2023
83 64.5 968 Dataset 1 Drug, Disease, Target Drug: SMILES, Target: target sequence Disease: MeSH iDrug Matrix Completion Drug Target Interaction (DTI) https://github.com/Case-esaC/iDrug NA NA NA NA NA NA 32667925 PLoS Comput Biol 2020
83 64.5 968 Fdataset (Dataset 2) Drug, Disease, Target Drug: SMILES, Target: target sequence Disease: MeSH iDrug Matrix Completion Drug Target Interaction (DTI) https://github.com/Case-esaC/iDrug NA NA NA NA NA NA 32667925 PLoS Comput Biol 2020
84 63.7 1856 NA Drug, Disease, Target, Side-effect NA DTI-GTN Graph Transformer Network Drug Target Interaction (DTI) https://github.com/q498756498/DTI-GTN Case studies NA HTR1A NA NA Top 4 drugs 36329406 BMC Bioinformatics 2022
84 63.7 1856 NA Drug, Disease, Target, Side-effect NA DTI-GTN Graph Transformer Network Drug Target Interaction (DTI) https://github.com/q498756498/DTI-GTN Case studies NA CHRM3 NA NA Top 2 drugs 36329406 BMC Bioinformatics 2022
85 63.2 356 NA Drug, Disease, Target NA Heter-LP Heterogeneous label propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA Case studies Osteoarthritis with mild chondrodysplasia NA NA NA 2 drugs 28300647 J Biomed Inform 2017
85 63.2 356 Yamanishi_E Drug, Target Drug: chemical sturcture, Target: target sequence Heter-LP Heterogeneous label propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA Case studies Osteoarthritis with mild chondrodysplasia NA NA NA 2 drugs 28300647 J Biomed Inform 2017
85 63.2 356 Yamanishi_IC Drug, Target Drug: chemical sturcture, Target: target sequence Heter-LP Heterogeneous label propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA Case studies Osteoarthritis with mild chondrodysplasia NA NA NA 2 drugs 28300647 J Biomed Inform 2017
85 63.2 356 Yamanishi_GPCR Drug, Target Drug: chemical sturcture, Target: target sequence Heter-LP Heterogeneous label propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA Case studies Osteoarthritis with mild chondrodysplasia NA NA NA 2 drugs 28300647 J Biomed Inform 2017
85 63.2 356 Yamanishi_NR Drug, Target Drug: chemical sturcture, Target: target sequence Heter-LP Heterogeneous label propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA Case studies Osteoarthritis with mild chondrodysplasia NA NA NA 2 drugs 28300647 J Biomed Inform 2017
86 62.9 36 NA Drug, Disease, Target, Gene, Pathway NA CauseNet Computing transition weights Drug Disease Association (DDA) NA Case studies Crohn's disease (CD) NA NA NA Top 5 drugs 24564553 BMC Bioinformatics 2013
87 62.5 736 Fdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms ANMF Additional Neural Matrix Factorization Drug Disease Association (DDA) https://github.com/MortySn/ANMF NA NA NA NA NA NA 31412762 BMC Bioinformatics 2019
87 62.5 736 Cdataset Drug, Disease Drug: SMILES, Diseases: MeSH terms ANMF Additional Neural Matrix Factorization Drug Disease Association (DDA) https://github.com/MortySn/ANMF NA NA NA NA NA NA 31412762 BMC Bioinformatics 2019
87 62.5 1072 NA Drug, Disease, Target, Pathway, Therapeutic classes NA NMTF (Non-negative Matrix Tri-Factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/DEIB-GECO/NMTF-DrugRepositioning Case studies NA NA NA Drug disease interaction Top 5 predictions 32365039 IEEE J Biomed Health Inform 2020
88 60.9 1340 GPCR Drug, Target Drug: SMILES, Target: Sequence DTI-MLCD Random Forest (RF) Drug Target Interaction (DTI) https://github.com/a96123155/DTI-MLCD NA NA NA NA NA NA 32964234 Brief Bioinform 2021
88 60.9 1340 NR Drug, Target Drug: SMILES, Target: Sequence DTI-MLCD Random Forest (RF) Drug Target Interaction (DTI) https://github.com/a96123155/DTI-MLCD NA NA NA NA NA NA 32964234 Brief Bioinform 2021
88 60.9 1340 E Drug, Target Drug: SMILES, Target: Sequence DTI-MLCD Random Forest (RF) Drug Target Interaction (DTI) https://github.com/a96123155/DTI-MLCD NA NA NA NA NA NA 32964234 Brief Bioinform 2021
88 60.9 1340 IC Drug, Target Drug: SMILES, Target: Sequence DTI-MLCD Random Forest (RF) Drug Target Interaction (DTI) https://github.com/a96123155/DTI-MLCD NA NA NA NA NA NA 32964234 Brief Bioinform 2021
89 60.6 2208 BIOKG-One Drug, Disease, Target, Side-effect, NA MLAN (Multi-Level Attention Network) Gated Mechanism,Attention Mechanism,MTransD,Commonality Relation Learner (CRL) Drug Disease Association (DDA) NA Case studies COVID-19 NA NA NA Top 5 drugs 38244473 Comput Biol Med 2024
89 60.6 2208 COVID19-One NA NA MLAN (Multi-Level Attention Network) Gated Mechanism,Attention Mechanism,MTransD,Commonality Relation Learner (CRL) Drug Disease Association (DDA) NA Case studies COVID-19 NA NA NA Top 5 drugs 38244473 Comput Biol Med 2024
89 60.6 2208 NELL-One NA NA MLAN (Multi-Level Attention Network) Gated Mechanism,Attention Mechanism,MTransD,Commonality Relation Learner (CRL) Drug Disease Association (DDA) NA Case studies COVID-19 NA NA NA Top 5 drugs 38244473 Comput Biol Med 2024
90 60.5 1980 Ovarian Cancer Dataset Drug, Gene NA SPLNMTF (Self-Paced Non-negative Matrix Tri-Factorization) Matrix Factorization Drug Disease Association (DDA) https://github.com/qi0906/SPLNMTF NA NA NA NA NA NA 36445996 IEEE/ACM Trans Comput Biol Bioinform 2023
90 60.5 1980 Acute myeloid leukemia (AML) dataset Drug, Gene NA SPLNMTF (Self-Paced Non-negative Matrix Tri-Factorization) Matrix Factorization Drug Disease Association (DDA) https://github.com/qi0906/SPLNMTF NA NA NA NA NA NA 36445996 IEEE/ACM Trans Comput Biol Bioinform 2023
91 60.0875 2176 Yamanishi_IC Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 BindingDB Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 Yamanishi_NR Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 Davis Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 Yamanishi_E Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 DrugBank (version 5.1.9) Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 BIOSNAP Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
91 60.0875 2176 Yamanishi_GPCR Drug, Target Target: 20D Vector, Drug: SMILES geNnius (Graph Embedding Neural Network Interaction Uncovering System) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/ubioinformat/GeNNius NA NA NA NA NA NA 38134424 Bioinformatics 2024
92 60 2001 KIBA Drug, Target NA BindingSite-AugmentedDTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/yazdanimehdi/BindingSite-AugmentedDTA Case studies COVID-19 SARS-CoV-2 (3C-like protease, RNA-dependent RNA polymerase(RdRp), helicase, Spike/ACE2 complex） NA NA Top 10 drugs 37096593 Brief Bioinform 2023
92 60 2001 Davis Drug, Target NA BindingSite-AugmentedDTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/yazdanimehdi/BindingSite-AugmentedDTA Case studies COVID-19 SARS-CoV-2 (3C-like protease, RNA-dependent RNA polymerase(RdRp), helicase, Spike/ACE2 complex） NA NA Top 10 drugs 37096593 Brief Bioinform 2023
93 59.9 1060 NA Drug, Disease, Target, Gene NA RepCOOL Random Forest (RF) Drug Disease Association (DDA) NA Case studies Breast cancer stage II NA NA NA Top 4 drugs 33008415 J Transl Med 2020
94 59.7 1140 NA Chemical molecules, Gene, Gene expression profiles NA MNBDR (Module Network Ba​​sed Drug Repositioning）LINC1000,Cmap Random Walk Drug Disease Association (DDA) https://github.com/nbnbhwyy/MNBDR Case studies Breast cancer NA NA NA NA 33375395 Genes (Basel) 2020
94 59.7 1140 Golden standard Drug, Disease NA MNBDR (Module Network Ba​​sed Drug Repositioning）LINC1000,Cmap Random Walk Drug Disease Association (DDA) https://github.com/nbnbhwyy/MNBDR Case studies Breast cancer NA NA NA NA 33375395 Genes (Basel) 2020
95 59.6 415 Yamanishi_IC Drug, Target Drug: chemical sturcture, Target: target sequence BRDTI Bayesian Drug Target Interaction (DTI) https://github.com/lpeska/BRDTI NA NA NA NA NA NA 29054256 Comput Methods Programs Biomed 2017
95 59.6 415 Kinase (K) dataset Drug, Target Drug: chemical sturcture, Target: target sequence BRDTI Bayesian Drug Target Interaction (DTI) https://github.com/lpeska/BRDTI NA NA NA NA NA NA 29054256 Comput Methods Programs Biomed 2017
95 59.6 415 Yamanishi_GPCR Drug, Target Drug: chemical sturcture, Target: target sequence BRDTI Bayesian Drug Target Interaction (DTI) https://github.com/lpeska/BRDTI NA NA NA NA NA NA 29054256 Comput Methods Programs Biomed 2017
95 59.6 415 Yamanishi_NR Drug, Target Drug: chemical sturcture, Target: target sequence BRDTI Bayesian Drug Target Interaction (DTI) https://github.com/lpeska/BRDTI NA NA NA NA NA NA 29054256 Comput Methods Programs Biomed 2017
95 59.6 415 Yamanishi_E Drug, Target Drug: chemical sturcture, Target: target sequence BRDTI Bayesian Drug Target Interaction (DTI) https://github.com/lpeska/BRDTI NA NA NA NA NA NA 29054256 Comput Methods Programs Biomed 2017
96 58.9 1260 NA Subject, object, predicate NA LBD Knowledge Graph Completion Drug Disease Association (DDA) https://github.com/kilicogluh/lbd-covid Special studies COVID-19 NA NA NA 5 drugs 33571675 J Biomed Inform 2021
97 58.7 725 NA Drug, Disease, Target Drug: drug-target target NA CLASH (Complementary Linkage with Anchoring and Scoring),Graph-based Semi-Supervised Learning (SSL) Drug Drug Interaction (DDI) NA Case studies Vascular dementia NA NA NA Top 11 drug 31337333 BMC Bioinformatics 2019
98 58.5 1132 Fdataset Drug, Disease Drug: SMILES, Disease: medical description data HAMN (Hybrid Attentional Memory Network) Collaborative Filtering,Autoencoder Drug Disease Association (DDA) NA NA NA NA NA NA NA 33297947 BMC Bioinformatics 2020
98 58.5 1132 Cdataset Drug, Disease Drug: SMILES, Disease: medical description data HAMN (Hybrid Attentional Memory Network) Collaborative Filtering,Autoencoder Drug Disease Association (DDA) NA NA NA NA NA NA NA 33297947 BMC Bioinformatics 2020
98 58.5 1322 NA Drug, Gene NA NA Deep Autoencoder,XGBoost Drug Target Interaction (DTI) https://github.com/tsjshg/ai-drug-dev Special studies Alzheimer's Disease (AD) NA NA NA Top 20 drugs 33941241 Alzheimers Res Ther 2021
99 57 2144 KIBA Drug, Target Drug: SMILES, Target: The amino acid Sequence. TeM-DTBA (Time-efficient Multimodal Drug Target Binding Affinity) Multi Layer Perception (MLP) Drug Target binding Affinity (DTA) https://github.com/hkmztrk/DeepDTA/tree/master/data. NA NA NA NA NA NA 37777631 J Comput Aided Mol Des 2023
99 57 1719 Yamanishi_E Drug, Target Drug: side-effects, drug chemical structure, drug physicochemical properties and therapeutic properties, Target: co-pathway, PPI network, Gene Ontology and gene-encoded target sequence DTI-HETA Graph Neural Network (GNN),Graph Attention Network (GAT) Drug Target Interaction (DTI) https://github.com/ZhangyuXM/DTI-HETA NA NA NA NA NA NA 35380622 Brief Bioinform 2022
99 57 1719 Yamanishi_IC Drug, Target Drug: side-effects, drug chemical structure, drug physicochemical properties and therapeutic properties, Target: co-pathway, PPI network, Gene Ontology and gene-encoded target sequence DTI-HETA Graph Neural Network (GNN),Graph Attention Network (GAT) Drug Target Interaction (DTI) https://github.com/ZhangyuXM/DTI-HETA NA NA NA NA NA NA 35380622 Brief Bioinform 2022
99 57 2144 Davis Drug, Target Drug: SMILES, Target: The amino acid Sequence. TeM-DTBA (Time-efficient Multimodal Drug Target Binding Affinity) Multi Layer Perception (MLP) Drug Target binding Affinity (DTA) https://github.com/hkmztrk/DeepDTA/tree/master/data. NA NA NA NA NA NA 37777631 J Comput Aided Mol Des 2023
99 57 1719 Own dataset Drug, Target Drug: side-effects, drug chemical structure, drug physicochemical properties and therapeutic properties, Target: co-pathway, PPI network, Gene Ontology and gene-encoded target sequence DTI-HETA Graph Neural Network (GNN),Graph Attention Network (GAT) Drug Target Interaction (DTI) https://github.com/ZhangyuXM/DTI-HETA NA NA NA NA NA NA 35380622 Brief Bioinform 2022
100 56.76 1695 CheMBL Drug, Target Drug: chemical substructures, Target: the primary sequences DT2Vec XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2Vec NA NA NA NA NA NA 35379165 BMC Bioinformatics 2022
100 56.76 1695 Yamanishi_E Drug, Target Drug: chemical substructures, Target: the primary sequences DT2Vec XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2Vec NA NA NA NA NA NA 35379165 BMC Bioinformatics 2022
100 56.76 1695 Yamanishi_IC Drug, Target Drug: chemical substructures, Target: the primary sequences DT2Vec XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2Vec NA NA NA NA NA NA 35379165 BMC Bioinformatics 2022
100 56.76 1695 Yamanishi_GPCR Drug, Target Drug: chemical substructures, Target: the primary sequences DT2Vec XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2Vec NA NA NA NA NA NA 35379165 BMC Bioinformatics 2022
100 56.76 1695 Yamanishi_NR Drug, Target Drug: chemical substructures, Target: the primary sequences DT2Vec XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2Vec NA NA NA NA NA NA 35379165 BMC Bioinformatics 2022
101 56.6 380 NA Drug, Gene Drug: UniProt ID, PD-MRW Random Walk Drug Gene Association (DGA) NA Case studies Hepatocellular Carcinoma NA NA NA Top 20 drugs 27076463 IEEE/ACM Trans Comput Biol Bioinform 2017
102 56.5 1546 NA Drug, Disease, Gene NA GCAN (GRU-Cooperation-Attention-Network) GRU-Cooperation-Attention-Network (GCAN),RNN,Biased random walk Drug Disease Association (DDA) NA Case studies type I Gaucher disease NA NA NA Top 2 drugs 34789254 BMC Med Inform Decis Mak 2021
103 55.5 816 NA Drug, Target Drug: chemical structure, Target: GO terms OCSVM (One-class Support Vector Machine) Support Vector Machine (SVM) Drug Target Interaction (DTI) Additional file 4 NA NA NA NA NA NA 31881829 BMC Bioinformatics 2019
104 55.4 1915 NA Drug, Gene NA NA Random Walk with Restart (RWR) Drug Disease Association (DDA) NA Special studies Colorectal Cancer NA NA NA Top 9 drugs 36768566 Int J Mol Sci 2023
104 55.4 1915 NA Drug, Gene NA NA Random Walk with Restart (RWR) Drug Disease Association (DDA) NA Special studies Non-Small Cell Lung Cancer (NSCLC) NA NA NA Top 11 drugs 36768566 Int J Mol Sci 2023
105 55 1674 KIBA Drug, Target Drug: SMILES, Target: the amino acid sequences Affinity2Vec XGBoost Drug Target binding Affinity (DTA) https://github.com/MahaThafar/Affinity2Vec NA NA NA NA NA NA 35306525 Sci Rep 2022
105 55 1674 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences Affinity2Vec XGBoost Drug Target binding Affinity (DTA) https://github.com/MahaThafar/Affinity2Vec NA NA NA NA NA NA 35306525 Sci Rep 2022
106 54.5 1567 NeoDTI Drug, Disease, Target, Side-effect Drug: SMILES, Target: target sequence MultiDTI (Multi-modal DTI) Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/Deshan-Zhou/MultiDTI/ NA NA NA NA NA NA 34180970 Bioinformatics 2021
107 53.5 2169 DRKG Drug, Disease, Gene, Pathway, Side-effect, Compound, Anatomy, Tax, Molecular Function, Symptom, Biological Process, Cellular Component, Atc, PharmacologicClass NA TransRGNN Graph Neural Network (GNN) Drug Disease Association (DDA) NA Case studies COVID-19 NA NA NA Top 30 drugs 38104883 Methods 2024
107 53.5 586 NA Drug, Disease Drug: PubChem fingerprints, Disease: MeSH DrPOCS (projection onto convex sets) Matrix Completion Drug Disease Association (DDA) NA NA NA NA NA NA NA 29993698 IEEE/ACM Trans Comput Biol Bioinform 2019
107 53.5 475 Dataset 1 Drug, Disease Drug: drug substructures, target target functional domain and GO annotations, Diseases: MeSH terms DR2DI Regularized Kernel Classifier Drug Disease Association (DDA) https://github.com/huayu1111/DR2DI NA NA NA NA NA NA 29687309 J Comput Aided Mol Des 2018
108 53 1748 DUD-E Drug, Target Drug: SMILES, Target: the amino acid sequences MHSADTI Graph Attention Network (GAT),Multi-head self-attention mechanism Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33956632 IEEE/ACM Trans Comput Biol Bioinform 2022
108 53 856 LRSSL Drug, Disease Drug: chemical structure, drug target domain, drug target gene ontology (GO); Disease: semantic DDAPRED Logistic Matrix Factorization Drug Disease Association (DDA) https://github.com/nongdaxiaofeng/DDAPRED NA NA NA NA NA NA 32062701 J Mol Model 2020
108 53 1748 DrugBank Drug, Target Drug: SMILES, Target: the amino acid sequences MHSADTI Graph Attention Network (GAT),Multi-head self-attention mechanism Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33956632 IEEE/ACM Trans Comput Biol Bioinform 2022
108 53 1748 Human Drug, Target Drug: SMILES, Target: the amino acid sequences MHSADTI Graph Attention Network (GAT),Multi-head self-attention mechanism Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33956632 IEEE/ACM Trans Comput Biol Bioinform 2022
108 53 1748 C.elegans Drug, Target Drug: SMILES, Target: the amino acid sequences MHSADTI Graph Attention Network (GAT),Multi-head self-attention mechanism Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33956632 IEEE/ACM Trans Comput Biol Bioinform 2022
109 52.98571429 973 dataset1_GPCR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 Yamanishi_GPCR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_PK Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_TR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_NR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 Yamanishi_NR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset2_David Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_CR Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_E Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 Yamanishi_E Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 Yamanishi_IC Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset2_Ketz Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_CSM Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
109 52.98571429 973 dataset1_IC Drug, Target Drug: chemical sturcture, Target: target sequence DTIP_MDHN Index kernel matrix Drug Target Interaction (DTI) NA NA NA NA NA NA NA 32703151 BMC Bioinformatics 2020
110 52.75 1659 PDBBind Drug, Target Drug: SMILES, Target: the amino acid sequences GEFA (Graph Early Fusion Affinity) Graph Convolutional Network (GCN) Drug Target binding Affinity (DTA) https://github.com/ngminhtri0394/GEFA NA NA NA NA NA NA 34197324 IEEE/ACM Trans Comput Biol Bioinform 2022
110 52.75 1659 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences GEFA (Graph Early Fusion Affinity) Graph Convolutional Network (GCN) Drug Target binding Affinity (DTA) https://github.com/ngminhtri0394/GEFA NA NA NA NA NA NA 34197324 IEEE/ACM Trans Comput Biol Bioinform 2022
111 52.4 1717 D1 Drug, Target NA MccDTI Deep Autoencoder,Matrix Completion Drug Target Interaction (DTI) https://github.com/ShangCS/MccDTI NA NA NA NA NA NA 35262678 Brief Bioinform 2022
111 52.4 1717 D2 Drug, Target NA MccDTI Deep Autoencoder,Matrix Completion Drug Target Interaction (DTI) https://github.com/ShangCS/MccDTI NA NA NA NA NA NA 35262678 Brief Bioinform 2022
112 51.85 1518 Yamanishi Drug, Target Drug: SMILES, Target: the amino acid sequences DTI-End-to-End-DL Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/larngroup/DTI-End-to-End-DL NA NA NA NA NA NA 32142454 IEEE/ACM Trans Comput Biol Bioinform 2021
112 51.85 1518 BioLip Drug, Target Drug: SMILES, Target: the amino acid sequences DTI-End-to-End-DL Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/larngroup/DTI-End-to-End-DL NA NA NA NA NA NA 32142454 IEEE/ACM Trans Comput Biol Bioinform 2021
112 51.85 1518 BindingDB Drug, Target Drug: SMILES, Target: the amino acid sequences DTI-End-to-End-DL Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/larngroup/DTI-End-to-End-DL NA NA NA NA NA NA 32142454 IEEE/ACM Trans Comput Biol Bioinform 2021
112 51.85 1518 DrugBank Drug, Target Drug: SMILES, Target: the amino acid sequences DTI-End-to-End-DL Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/larngroup/DTI-End-to-End-DL NA NA NA NA NA NA 32142454 IEEE/ACM Trans Comput Biol Bioinform 2021
113 51.5 1838 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences DeepLPI Convolutional Neural Network (CNN),Bidirectional Long Short-Term Memory (Bi-LSTM) Drug Target Interaction (DTI) https://github.com/David-BominWei/DeepLPI NA NA NA NA NA NA 36307509 Sci Rep 2022
113 51.5 1838 COVID19-One Drug, Target Drug: SMILES, Target: the amino acid sequences DeepLPI Convolutional Neural Network (CNN),Bidirectional Long Short-Term Memory (Bi-LSTM) Drug Target Interaction (DTI) https://github.com/David-BominWei/DeepLPI NA NA NA NA NA NA 36307509 Sci Rep 2022
113 51.5 1838 BindingDB Drug, Target Drug: SMILES, Target: the amino acid sequences DeepLPI Convolutional Neural Network (CNN),Bidirectional Long Short-Term Memory (Bi-LSTM) Drug Target Interaction (DTI) https://github.com/David-BominWei/DeepLPI NA NA NA NA NA NA 36307509 Sci Rep 2022
114 51.4 1056 NA Drug, Target Drug: chemical structure PIMD Similarity Network Fusion (SNF) Drug Drug Interaction (DDI) https://github.com/Sepstar/PIMD/ Case studies NA NA NA NA NA 33075523 Genomics Proteomics Bioinformatics 2020
115 51 1678 Davis Drug, Target Drug: 2D chemical structure, Target: sequence NerLTR-DTA Learning To Rank (LTR) Drug Target binding Affinity (DTA) https://github.com/RUXIAOQING964914140/NerLTR-DTA NA NA NA NA NA NA 35134828 Bioinformatics 2022
115 51 1678 KIBA Drug, Target Drug: 2D chemical structure, Target: sequence NerLTR-DTA Learning To Rank (LTR) Drug Target binding Affinity (DTA) https://github.com/RUXIAOQING964914140/NerLTR-DTA NA NA NA NA NA NA 35134828 Bioinformatics 2022
116 50.75 2018 DTINet Drug, Target NA DEDTI-IEDTI Deep Neural Network (DNN) Drug Target Interaction (DTI) https://github.com/BioinformaticsIASBS/IEDTI-DEDTI Case studies NA NA NA NA Top 126 drugs 37286613 Sci Rep 2023
116 50.75 2018 Yamanishi Drug, Target NA DEDTI-IEDTI Deep Neural Network (DNN) Drug Target Interaction (DTI) https://github.com/BioinformaticsIASBS/IEDTI-DEDTI Case studies NA NA NA NA Top 126 drugs 37286613 Sci Rep 2023
117 50.5 569 NA Drug, Disease, Target NA NA Random Forest (RF),Neural network Drug Disease Association (DDA) NA Case studies Osteoarthritis NA NA NA Candidate drugs with the mean AUC>0.9 30463505 BMC Bioinformatics 2018
117 50.5 569 NA Drug, Disease, Target NA NA Random Forest (RF),Neural network Drug Disease Association (DDA) NA Case studies Urticaria NA NA NA Candidate drugs with the mean AUC>0.9 30463505 BMC Bioinformatics 2018
117 50.5 569 NA Drug, Disease, Target NA NA Random Forest (RF),Neural network Drug Disease Association (DDA) NA Case studies Chronic lymphocytic leukemia NA NA NA Candidate drugs with the mean AUC>0.9 30463505 BMC Bioinformatics 2018
117 50.5 794 NA Drug, Target Drug: SMILES, Proten: the amino acid sequence BANDIT Bayesian Drug Target Interaction (DTI) Select pieces of custom code can be made available upon request. NA NA NA NA NA NA 31745082 Nat Commun 2019
117 50.5 569 NA Drug, Disease, Target NA NA Random Forest (RF),Neural network Drug Disease Association (DDA) NA Case studies Dysmenorrhea NA NA NA Candidate drugs with the mean AUC>0.9 30463505 BMC Bioinformatics 2018
117 50.5 2000 NA Drug, Disease, Target Drug: SMILES, Target: the amino acid sequences DT2Vec+ XGBoost Drug Target Interaction (DTI) https://github.com/elmira-amiri/DT2VecPlus NA NA NA NA NA NA 37193964 BMC Bioinformatics 2023
117 50.5 569 NA Drug, Disease, Target NA NA Random Forest (RF),Neural network Drug Disease Association (DDA) NA Case studies Psoriasis NA NA NA Candidate drugs with the mean AUC>0.9 30463505 BMC Bioinformatics 2018
118 50.3 1787 Yamanishi_NR Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
118 50.3 1787 KEGG Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
118 50.3 1787 Yamanishi_E Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
118 50.3 1787 DrugBank Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
118 50.3 1787 Yamanishi_IC Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
118 50.3 1787 Yamanishi_GPCR Drug, Target Drug: chemical structure, target: protein sequence Ro-DNILMF Integrated logistic matrix factorization Drug Target Interaction (DTI) https://github.com/LJX0326/Ro-DNILMF.git NA NA NA NA NA NA 36014371 Molecules 2022
119 50.05 187 External data Drug, Target Target: Fingerprint WES Bayesian network and multi-variate kernel approach Drug Target Interaction (DTI) NA NA NA NA NA NA NA 26155766 Sci Rep 2015
119 50.05 187 BindingDB Drug, Target Target: Fingerprint WES Bayesian network and multi-variate kernel approach Drug Target Interaction (DTI) NA NA NA NA NA NA NA 26155766 Sci Rep 2015
120 50 1343 Davis Drug, Target Drug: (the atom symbol, the number of adjacent atoms, the number of adjacent hydrogens, the implicit value of the atom, and whether the atom is in an aromatic structure), Target: (ASCII character string) GraphDTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/thinng/GraphDTA NA NA NA NA NA NA 33119053 Bioinformatics 2021
120 50 1343 KIBA Drug, Target Drug: (the atom symbol, the number of adjacent atoms, the number of adjacent hydrogens, the implicit value of the atom, and whether the atom is in an aromatic structure), Target: (ASCII character string) GraphDTA Graph Neural Network (GNN) Drug Target binding Affinity (DTA) https://github.com/thinng/GraphDTA NA NA NA NA NA NA 33119053 Bioinformatics 2021
121 49.5 1203 NA Drug, Virus NA IRNMF (Indicator Regularized non-negative Matrix Factorization) Non-negative Matrix Factorization (NMF) Drug Virus Association (DVA) https://github.com/dukebai/IRNMF NA NA NA NA NA NA 33584672 Front Immunol 2021
122 49 1834 BindingDB Drug, Target Drug: SMILES, Target: the amino acid sequences ICAN (Interpretable Cross-Attention Network) Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/kuratahiroyuki/ICAN NA NA NA NA NA NA 36279284 PLoS One 2022
122 49 1834 BIOSNAP Drug, Target Drug: SMILES, Target: the amino acid sequences ICAN (Interpretable Cross-Attention Network) Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/kuratahiroyuki/ICAN NA NA NA NA NA NA 36279284 PLoS One 2022
122 49 64 Fdataset Drug, Disease Drug: structure chemical, target, side-effect, Diseases: MeSH terms PreDR (Predict Drug Repositioning) Support Vector Machine (SVM) Drug Disease Association (DDA) NA NA NA NA NA NA NA 24244318 PLoS One 2013
122 49 559 MULAN Drug, Disease, Gene Chemical: Extended Connectivity Fingerprint (ECFP), Gene: amino acid sequence ANTENNA Dual-regularized weighted,Imputed One Class Collaborative Filtering (OCCF) algorithm,Random Walk Restart Drug Disease Association (DDA) NA NA NA NA NA NA NA 29993812 IEEE/ACM Trans Comput Biol Bioinform 2018
122 49 1834 Davis Drug, Target Drug: SMILES, Target: the amino acid sequences ICAN (Interpretable Cross-Attention Network) Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/kuratahiroyuki/ICAN NA NA NA NA NA NA 36279284 PLoS One 2022
123 48.8 1914 Hetero-A Drug, Disease, Target, Side-effect NA MHGNN (Metapath-aggregated Heterogeneous Graph Neural Network) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/Zora-LM/MHGNN-DTI NA NA NA NA NA NA 36592060 Brief Bioinform 2023
123 48.8 1914 Hetero-B Drug, Disease, Target, Side-effect NA MHGNN (Metapath-aggregated Heterogeneous Graph Neural Network) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/Zora-LM/MHGNN-DTI NA NA NA NA NA NA 36592060 Brief Bioinform 2023
123 48.8 1914 Hetero-C Drug, Target, Gene, Side-effect NA MHGNN (Metapath-aggregated Heterogeneous Graph Neural Network) Graph Neural Network (GNN) Drug Target Interaction (DTI) https://github.com/Zora-LM/MHGNN-DTI NA NA NA NA NA NA 36592060 Brief Bioinform 2023
124 48.35 1235 dataset 1 Drug, Target Drug: constitutional, topological, and geometrical descriptors; Target: amino acid, pseudo-amino acid, and CTD (composition, transition, distribution) descriptors DTI-SNNFRA Shared nearest neighbors and fuzzy-rough approximation Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33606741 PLoS One 2021
124 48.35 1235 dataset 2 Drug, Target Drug: constitutional, topological, and geometrical descriptors; Target: amino acid, pseudo-amino acid, and CTD (composition, transition, distribution) descriptors DTI-SNNFRA Shared nearest neighbors and fuzzy-rough approximation Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33606741 PLoS One 2021
125 47.5 1795 NA Drug, Disease, Target, Side-effect, Substructure NA MGATRx Graph Neural Network (GNN) Drug Disease Association (DDA) https://github.com/yellajaswanth/MGATRx NA NA NA NA NA NA 34014830 IEEE/ACM Trans Comput Biol Bioinform 2022
126 47 723 Yamanishi_GPCR Drug, Target NA SPLCMF (Self-paced learning with collaborative matrix factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/Macau-LYXia/SPLCMF-DTI NA NA NA NA NA NA 31260620 J Chem Inf Model 2019
126 47 723 Yamanishi_NR Drug, Target NA SPLCMF (Self-paced learning with collaborative matrix factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/Macau-LYXia/SPLCMF-DTI NA NA NA NA NA NA 31260620 J Chem Inf Model 2019
126 47 723 Kuang's dataset Drug, Target NA SPLCMF (Self-paced learning with collaborative matrix factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/Macau-LYXia/SPLCMF-DTI NA NA NA NA NA NA 31260620 J Chem Inf Model 2019
126 47 723 Yamanishi_E Drug, Target NA SPLCMF (Self-paced learning with collaborative matrix factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/Macau-LYXia/SPLCMF-DTI NA NA NA NA NA NA 31260620 J Chem Inf Model 2019
126 47 723 Yamanishi_IC Drug, Target NA SPLCMF (Self-paced learning with collaborative matrix factorization) Matrix Factorization Drug Target Interaction (DTI) https://github.com/Macau-LYXia/SPLCMF-DTI NA NA NA NA NA NA 31260620 J Chem Inf Model 2019
127 46.75 2132 DNdataset Drug, Disease NA IDDI-DNN Convolutional Neural Network (CNN) Drug Disease Association (DDA) NA NA NA NA NA NA NA 37993777 BMC Bioinformatics 2023
127 46.75 2132 Fdataset Drug, Disease NA IDDI-DNN Convolutional Neural Network (CNN) Drug Disease Association (DDA) NA NA NA NA NA NA NA 37993777 BMC Bioinformatics 2023
128 46.7 1221 PMID: 24551427 Drug, Target, Side-effect Drug(structure, target, side-effect) IntegratedSim Similarity-fusion methods Drug Drug Interaction (DDI) NA NA NA NA NA NA NA 33557749 BMC Bioinformatics 2021
128 46.7 1221 NDF-RT Drug, Disease NA IntegratedSim Similarity-fusion methods Drug Drug Interaction (DDI) NA NA NA NA NA NA NA 33557749 BMC Bioinformatics 2021
129 46.56 1658 Yamanishi_IC Drug, Target NA IMCHGAN (Inductive Matrix Completion with Heterogeneous Graph Attention Network) Graph Attention Network (GAT),Inductive Matrix Completion (IMC) Drug Target Interaction (DTI) https://github.com/ljatynu/IMCHGAN/ NA NA NA NA NA NA 34115592 IEEE/ACM Trans Comput Biol Bioinform 2022
129 46.56 1658 Yamanishi_GPCR Drug, Target NA IMCHGAN (Inductive Matrix Completion with Heterogeneous Graph Attention Network) Graph Attention Network (GAT),Inductive Matrix Completion (IMC) Drug Target Interaction (DTI) https://github.com/ljatynu/IMCHGAN/ NA NA NA NA NA NA 34115592 IEEE/ACM Trans Comput Biol Bioinform 2022
129 46.56 1658 Yamanishi_NR Drug, Target NA IMCHGAN (Inductive Matrix Completion with Heterogeneous Graph Attention Network) Graph Attention Network (GAT),Inductive Matrix Completion (IMC) Drug Target Interaction (DTI) https://github.com/ljatynu/IMCHGAN/ NA NA NA NA NA NA 34115592 IEEE/ACM Trans Comput Biol Bioinform 2022
129 46.56 1658 DTI-HN Drug, Disease, Target, Side-effect NA IMCHGAN (Inductive Matrix Completion with Heterogeneous Graph Attention Network) Graph Attention Network (GAT),Inductive Matrix Completion (IMC) Drug Target Interaction (DTI) https://github.com/ljatynu/IMCHGAN/ NA NA NA NA NA NA 34115592 IEEE/ACM Trans Comput Biol Bioinform 2022
129 46.56 1658 Yamanishi_E Drug, Target NA IMCHGAN (Inductive Matrix Completion with Heterogeneous Graph Attention Network) Graph Attention Network (GAT),Inductive Matrix Completion (IMC) Drug Target Interaction (DTI) https://github.com/ljatynu/IMCHGAN/ NA NA NA NA NA NA 34115592 IEEE/ACM Trans Comput Biol Bioinform 2022
130 45 1220 NA Drug, Disease, Gene NA SAveRUNNER (Searching off-lAbel dRUg aNd NEtwoRk) Bi-Random walk-based algorithm Drug Disease Association (DDA) NA NA NA NA NA NA NA 33544720 PLoS Comput Biol 2021
131 44.5 1851 DRKG Drug, Disease, Gene, Anatomies NA GDRnet Graph Neural Network (GNN) Drug Disease Association (DDA) https://github.com/siddhant-doshi/GDRnet Case studies NA NA NA NA NA 36228466 Comput Biol Med 2022
132 44 1550 Luo's dataset Drug, Disease, Target, Side-effect NA KGE_NFM Neural Factorization Machine (NFM) Drug Target Interaction (DTI) https://zenodo.org/record/5500305 NA NA NA NA NA NA 34811351 Nat Commun 2021
132 44 1886 Fdataset Drug, Disease NA NMFDR (Neural Metric Factorization model for computational Drug Repositioning) Matrix Factorization Drug Disease Association (DDA) NA NA NA NA NA NA NA 35061591 IEEE/ACM Trans Comput Biol Bioinform 2023
132 44 1886 Cdataset Drug, Disease NA NMFDR (Neural Metric Factorization model for computational Drug Repositioning) Matrix Factorization Drug Disease Association (DDA) NA NA NA NA NA NA NA 35061591 IEEE/ACM Trans Comput Biol Bioinform 2023
132 44 1886 DNdataset Drug, Disease NA NMFDR (Neural Metric Factorization model for computational Drug Repositioning) Matrix Factorization Drug Disease Association (DDA) NA NA NA NA NA NA NA 35061591 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 RepoDB (RDB) Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 iDrug (ID) Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 DrugBank Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 LL Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 DisGeNET (DGN) Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 MalaCards (MC) Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
133 42.5 1935 SLAMS Drug, Disease, Gene NA NA Biased random walks Drug Disease Association (DDA) NA Case studies Rheumatoid Arthritis NA NA NA 1 drug 35839194 IEEE/ACM Trans Comput Biol Bioinform 2023
134 42.4 465 NA Drug, Target, Gene, Side-effect Drug: Chemical structure, target, Gene, side-effect NA Growing Self Organizing Map (GSOM) Drug Drug Interaction (DDI) https://github.com/fathimanush786/two_tiered_clustrering_data NA NA NA NA NA NA 29642848 BMC Bioinformatics 2018
135 41.66 1473 Yamanishi_GPCR Drug, Target NA DTI-HeNE (DTI based on Heterogeneous Network Embedding) Random Forest (RF) Drug Target Interaction (DTI) https://github.com/arantir123/DTI-hene/ NA NA NA NA NA NA 34479477 BMC Bioinformatics 2021
135 41.66 1473 Yamanishi_NR Drug, Target NA DTI-HeNE (DTI based on Heterogeneous Network Embedding) Random Forest (RF) Drug Target Interaction (DTI) https://github.com/arantir123/DTI-hene/ NA NA NA NA NA NA 34479477 BMC Bioinformatics 2021
135 41.66 1473 Olayan RS Drug, Target NA DTI-HeNE (DTI based on Heterogeneous Network Embedding) Random Forest (RF) Drug Target Interaction (DTI) https://github.com/arantir123/DTI-hene/ NA NA NA NA NA NA 34479477 BMC Bioinformatics 2021
135 41.66 1473 Yamanishi_E Drug, Target NA DTI-HeNE (DTI based on Heterogeneous Network Embedding) Random Forest (RF) Drug Target Interaction (DTI) https://github.com/arantir123/DTI-hene/ NA NA NA NA NA NA 34479477 BMC Bioinformatics 2021
135 41.66 1473 Yamanishi_IC Drug, Target NA DTI-HeNE (DTI based on Heterogeneous Network Embedding) Random Forest (RF) Drug Target Interaction (DTI) https://github.com/arantir123/DTI-hene/ NA NA NA NA NA NA 34479477 BMC Bioinformatics 2021
136 40.7 1307 NA Drug, Target Drug: 2-D structural representations, CSConv2d Convolutional Block Attention Module (CBAM) Drug Target Interaction (DTI) NA NA NA NA NA NA NA 33925310 Biomolecules 2021
137 40.5 142 NA Drug, Disease, Gene NA NA Matrix Factorization Drug Disease Association (DDA) NA NA NA NA NA NA NA 26078775 Comput Math Methods Med 2015
138 39.2 154 NA Drug Drug: chemical structure NA Markov Clustering Drug Drug Interaction (DDI) NA NA NA NA NA NA NA 24934184 Chem Biol Drug Des 2015
139 38.4 1444 CAS Biomedical Knowledge Graph(COVID-19) Disease, Gene, Pathway, Virus, Side-effect, Clinical Trial, Small molecule, Molecular Function NA NA A computer algorithm-driven drug-ranking method Drug Disease Association (DDA) NA Special studies COVID-19 NA NA NA Top 50 drugs 34297570 J Chem Inf Model 2021
140 38 50 STITCH Drug, Target NA RBM model Restricted Boltzmann Machine Drug Target Interaction (DTI) NA NA NA NA NA NA NA 23812976 Bioinformatics 2013
140 38 50 MATADOR Drug, Target NA RBM model Restricted Boltzmann Machine Drug Target Interaction (DTI) NA NA NA NA NA NA NA 23812976 Bioinformatics 2013
141 37.8 328 MATADOR Drug, Target Drug: pubchem ID, Target: target ID(MeSH, STRING 7) NA Common Neighbours,Jaccard Index,Preferential Attachment,Katz Index Drug Target Interaction (DTI) http://www.cl.cam.ac.uk/~yg244/16bioinfo NA NA NA NA NA NA 28095781 BMC Bioinformatics 2017
142 37.65 896 SMDC Drug Drug: drug perturbation gene expression level, structural fingerprint and physicochemical property DAMT-Model Convolutional Neural Network (CNN),Domain-adversarial learning,Bidirectional LSTM (Bi-LSTM) Drug Disease Association (DDA) https://github.com/JohnnyY8/DAMT-Model NA NA NA NA NA NA 31999334 Bioinformatics 2020
142 37.65 896 FD dataset Drug Drug: drug perturbation gene expression level, structural fingerprint and physicochemical property DAMT-Model Convolutional Neural Network (CNN),Domain-adversarial learning,Bidirectional LSTM (Bi-LSTM) Drug Disease Association (DDA) https://github.com/JohnnyY8/DAMT-Model NA NA NA NA NA NA 31999334 Bioinformatics 2020
143 30.5 604 Yamanishi Drug, Disease, Target NA Heter-LP Label Propagation Drug Target Interaction (DTI),Drug Disease Association (DDA) NA NA NA NA NA NA NA 30547450 Methods Mol Biol 2019
144 27.6 1110 NA Drug, Disease, Gene, Pathway, Side-effect NA NA Support Vector Machine (SVM),Decision Tree (DT),Random Forest (RF) Drug Disease Association (DDA) NA NA NA NA NA NA NA 32674665 Health Informatics J 2020
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