Drug Target binding Affinity (DTA)


The DTA model evaluates the binding affinity between drugs and targets, helping researchers understand the efficacy and selectivity of drugs.

By analyzing binding affinity, researchers can optimize drug design and advance repositioning studies.


The search result for the Model Prediction Types "Drug Target binding Affinity (DTA)"
A total of 20 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 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
1 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
2 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
2 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
3 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
3 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
3 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
3 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
4 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
4 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
5 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
5 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
6 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
6 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
7 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
7 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
8 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
8 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
9 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
9 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
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