MixingDTA: improved drug-target affinity prediction by extending mixup with guilt-by-association. [PDF]
BioinformaticsKim Y +6 more
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UAMRL: multi-granularity uncertainty-aware multimodal representation learning for drug-target affinity prediction. [PDF]
BioinformaticsXu W +5 more
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DualPG-DTA: A Large Language Model-Powered Graph Neural Network Framework for Enhanced Drug-Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting In Vivo Anti-Leukemia Activity. [PDF]
Adv Sci (Weinh)Chen Y +7 more
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Dual modality feature fused neural network integrating binding site information for drug target affinity prediction. [PDF]
NPJ Digit MedHe H, Chen G, Tang Z, Chen CY.
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Drug target affinity prediction based on multi-scale gated power graph and multi-head linear attention mechanism. [PDF]
PLoS OneHu S, Hu J, Zhang X, Jin S, Xu X.
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Machine Learning approach for Drug-Target affinity prediction in Computer Aided Drug Design
, 2023 Dani NJ +3 more
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MvGraphDTA: multi-view-based graph deep model for drug-target affinity prediction by introducing the graphs and line graphs. [PDF]
BMC BiolZeng X +6 more
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7th German Conference on Chemoinformatics: 25 CIC-Workshop : Goslar, Germany, 6 - 8 November 2011 ; meeting abstracts / Edited by Frank Oellien, Uli Fechner and Thomas Engel [PDF]
, 2012 Engel, Thomas +2 more
core
Artificial intelligence in drug discovery from advanced molecular representation to pipeline applications. [PDF]
Front BioinformZhou X, Tao W.
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More protein-ligand data are needed for AlphaFold-like models to enable drug discovery. [PDF]
Curr Opin Struct BiolSingh S +3 more
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