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Drug-Target Interaction and Binding Affinity Prediction

Uncover the advancements in drug-target interaction and binding affinity prediction through this curated list of publications, highlighting the use of graph neural networks and 3D structural analysis.

  1. Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation
    • By: Lim, J. et al., 2019
    • Journal: Journal of Chemical Information and Modeling
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  2. Identifying Drug–Target Interactions Based on Graph Convolutional Network and Deep Neural Network
    • By: Zhao, T. et al., 2021
    • Journal: Briefings in Bioinformatics
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  3. Drug–Target Interaction Prediction via Multi-Channel Graph Neural Networks
    • By: Li, Y. et al., 2022
    • Journal: Briefings in Bioinformatics
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  4. Graph Neural Network Approaches for Drug-Target Interactions
    • By: Zhang, Z. et al., 2022
    • Journal: Current Opinion in Structural Biology
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  5. Graph Convolutional Neural Networks for Predicting Drug-Target Interactions
    • By: Torng, W. & Altman, R. B., 2019
    • Journal: Journal of Chemical Information and Modeling
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  6. Predicting Drug-Target Interactions via Dual-Stream Graph Neural Network
    • By: Li, Y. et al., 2022
    • Journal: IEEE/ACM Transactions on Computational Biology and Bioinformatics
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  7. Drug–Target Affinity Prediction Using Graph Neural Network and Contact Maps
  8. HGDTI: Predicting Drug–Target Interaction by Using Information Aggregation Based on Heterogeneous Graph Neural Network
  9. Drug-Target Interaction Prediction with Graph Attention Networks
  10. GraphDTA: Predicting Drug–Target Binding Affinity with Graph Neural Networks
  11. BridgeDPI: A Novel Graph Neural Network for Predicting Drug–Protein Interactions
  12. A Survey of Drug-Target Interaction and Affinity Prediction Methods via Graph Neural Networks
    • By: Zhang, Y. et al., 2023
    • Journal: Computers in Biology and Medicine
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  13. Metapath-aggregated heterogeneous graph neural network for drug–target interaction prediction
  14. Effective prediction of drug – target interaction on HIV using deep graph neural networks
    • By: Das, Bihter, et al., 2022
    • Journal: Chemometrics and Intelligent Laboratory Systems
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  15. iNGNN-DTI: prediction of drug–target interaction with interpretable nested graph neural network and pretrained molecule models
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