Drug Target Interaction (DTI)


The DTI model studies the interactions between drugs and targets, revealing how drugs exert their therapeutic effects through targets.

This model provides an important biological basis for drug repositioning, helping identify new indications.


The search result for the Model Prediction Types "Drug Target Interaction (DTI)"
A total of 208 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 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
3 81.7 2036 DTPKS Drug, Target Drug: 2D molecular graphs Target: amino acid sequences (AAS) MDTips Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/XiaoqiongXia/MDTips Case studies NA NA Melphalan NA Top 30 diseases 37379157 Bioinformatics 2023
4 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
5 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
6 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
7 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
7 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
7 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
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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
7 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
7 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
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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
7 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 NA Nisoldipine NA Top 20 targets 36301791 IEEE J Biomed Health Inform 2023
7 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
7 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
7 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
8 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
8 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
8 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
8 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
9 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
10 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
11 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
11 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
12 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
12 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
12 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
13 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
13 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
14 76 1578 NA Drug, Target Drug: chemical structures, Target: primary sequence GANDTI Generative Adversarial Network (GAN),Graph convolutional autoencoder Drug Target Interaction (DTI) NA Case studies NA NA Aripiprnazole NA Top 10 targets 32750854 IEEE/ACM Trans Comput Biol Bioinform 2022
14 76 1578 NA Drug, Target Drug: chemical structures, Target: primary sequence GANDTI Generative Adversarial Network (GAN),Graph convolutional autoencoder Drug Target Interaction (DTI) NA Case studies NA NA Ziprasidone NA Top 10 targets 32750854 IEEE/ACM Trans Comput Biol Bioinform 2022
14 76 1578 NA Drug, Target Drug: chemical structures, Target: primary sequence GANDTI Generative Adversarial Network (GAN),Graph convolutional autoencoder Drug Target Interaction (DTI) NA Case studies NA NA Quetiapine NA Top 10 targets 32750854 IEEE/ACM Trans Comput Biol Bioinform 2022
14 76 1578 NA Drug, Target Drug: chemical structures, Target: primary sequence GANDTI Generative Adversarial Network (GAN),Graph convolutional autoencoder Drug Target Interaction (DTI) NA Case studies NA NA Clozapine NA Top 10 targets 32750854 IEEE/ACM Trans Comput Biol Bioinform 2022
14 76 1578 NA Drug, Target Drug: chemical structures, Target: primary sequence GANDTI Generative Adversarial Network (GAN),Graph convolutional autoencoder Drug Target Interaction (DTI) NA Case studies NA NA Olanzapine NA Top 10 targets 32750854 IEEE/ACM Trans Comput Biol Bioinform 2022
15 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
15 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
16 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
16 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
16 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
17 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
18 73.5 1683 RPD-Net Drug, Disease, Target Drug: chemical substructures, Target: the primary sequences DNDTI Non-negative Matrix Factorization (NMF) Drug Target Interaction (DTI) NA Case studies NA NA Clozapine NA Top 10 targets 34673498 IEEE J Biomed Health Inform 2022
18 73.5 1683 RPD-Net Drug, Disease, Target Drug: chemical substructures, Target: the primary sequences DNDTI Non-negative Matrix Factorization (NMF) Drug Target Interaction (DTI) NA Case studies NA NA Olanzapine NA Top 10 targets 34673498 IEEE J Biomed Health Inform 2022
18 73.5 1683 RPD-Net Drug, Disease, Target Drug: chemical substructures, Target: the primary sequences DNDTI Non-negative Matrix Factorization (NMF) Drug Target Interaction (DTI) NA Case studies NA NA Aripiprazole NA Top 10 targets 34673498 IEEE J Biomed Health Inform 2022
18 73.5 1683 RPD-Net Drug, Disease, Target Drug: chemical substructures, Target: the primary sequences DNDTI Non-negative Matrix Factorization (NMF) Drug Target Interaction (DTI) NA Case studies NA NA Asenapine NA Top 10 targets 34673498 IEEE J Biomed Health Inform 2022
18 73.5 1683 RPD-Net Drug, Disease, Target Drug: chemical substructures, Target: the primary sequences DNDTI Non-negative Matrix Factorization (NMF) Drug Target Interaction (DTI) NA Case studies NA NA Amitriptyline NA Top 10 targets 34673498 IEEE J Biomed Health Inform 2022
19 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
19 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
19 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 NA Fludiazepam NA Top 20 targets 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
19 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 NA Fludiazepam NA Top 20 targets 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
19 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
19 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
19 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 NA Fludiazepam NA Top 20 targets 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
19 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 NA Fludiazepam NA Top 20 targets 36445997 IEEE/ACM Trans Comput Biol Bioinform 2023
20 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
20 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
21 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
21 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
21 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
22 71.64285714 343 External_GPCR Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 Kinases Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 External _Kinases Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 IC Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 NR Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 Global Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
22 71.64285714 343 GPCR Drug, Target Drug: SMILES, Target: The primary sequence SDTNBI (Substructure–drug–target network-based inference) NetInfer package Drug Target Interaction (DTI) NA Case studies NA NA NSAIDs NA 3 targets 26944082 Brief Bioinform 2017
23 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
23 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
23 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
23 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
23 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
24 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
25 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
26 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
27 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
27 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 NA Astemizole NA 14 targets 28808275 Sci Rep 2017
27 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
27 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
27 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
27 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 NA Astemizole NA 14 targets 28808275 Sci Rep 2017
27 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
27 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 NA Astemizole NA 14 targets 28808275 Sci Rep 2017
27 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
27 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
27 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
27 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 NA Astemizole NA 14 targets 28808275 Sci Rep 2017
28 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
29 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
30 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
31 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
31 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
32 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
32 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
33 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
33 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
33 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
33 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
33 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
34 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
35 61.8 1096 NA Drug, Target Drug: SMILES, Target: sequence DLDTI Representation learning,Convolutional Neural Network (CNN) Drug Target Interaction (DTI) https://github.com/CUMTzackGit/DLDTI Case studies Atherosclerosis NA Tetramethylpyrazine NA 288 targets 33187537 J Transl Med 2020
36 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
36 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
36 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
36 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
37 60.1 1867 Yamanishi NA NA MHADTI (Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug–Target Interaction) Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/pxystudy/MHADTI Case studies NA NA Pregabalin,Oxycodone,Sunitinib,Acetaminophen,Gefitinib NA NA 36242566 Brief Bioinform 2022
37 60.1 1867 NEDTP NA NA MHADTI (Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug–Target Interaction) Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/pxystudy/MHADTI Case studies NA NA Pregabalin,Oxycodone,Sunitinib,Acetaminophen,Gefitinib NA NA 36242566 Brief Bioinform 2022
37 60.1 1867 NA Drug, Target Drug: SMILES, Disease: MeSH, Target: sequence MHADTI (Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug–Target Interaction) Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/pxystudy/MHADTI Case studies NA NA Pregabalin,Oxycodone,Sunitinib,Acetaminophen,Gefitinib NA NA 36242566 Brief Bioinform 2022
37 60.1 1867 DTINet NA NA MHADTI (Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug–Target Interaction) Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/pxystudy/MHADTI Case studies NA NA Pregabalin,Oxycodone,Sunitinib,Acetaminophen,Gefitinib NA NA 36242566 Brief Bioinform 2022
37 60.1 1867 AGHEL NA NA MHADTI (Multiview heterogeneous information network embedding with Hierarchical Attention mechanisms to discover potential Drug–Target Interaction) Multi Layer Perception (MLP) Drug Target Interaction (DTI) https://github.com/pxystudy/MHADTI Case studies NA NA Pregabalin,Oxycodone,Sunitinib,Acetaminophen,Gefitinib NA NA 36242566 Brief Bioinform 2022
38 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
38 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
38 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
38 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
38 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
38 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
38 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
38 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
39 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
39 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
39 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
39 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
39 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
40 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
41 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
41 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
41 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
42 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
42 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
42 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
42 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
42 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
43 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
44 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
45 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
45 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
45 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
45 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
46 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
47 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
47 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
48 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
48 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
48 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
48 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
49 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
49 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
49 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
50 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
50 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
51 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
51 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
52 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
52 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
52 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
52 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
52 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
52 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
53 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
53 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
54 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
54 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
54 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
55 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
55 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
55 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
56 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
56 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
57 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
57 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
57 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
57 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
57 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
58 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
58 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
58 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
58 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
58 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
59 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
60 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
60 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
60 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
60 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
60 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
61 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
62 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
62 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
63 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
64 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
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