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Found 3 papers, 2 papers with code
Multi-task Bioassay Pre-training for Protein-ligand Binding Affinity Prediction
By introducing multi-task pre-training to treat the prediction of different affinity labels as different tasks and classifying relative rankings between samples from the same bioassay, MBP learns robust and transferrable structural knowledge from our new ChEMBL-Dock dataset with varied and noisy labels.
Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform
The generation of small molecule candidate (ligand) binding poses in its target protein pocket is important for computer-aided drug discovery.
SPLDExtraTrees: Robust machine learning approach for predicting kinase inhibitor resistance
Drug resistance is a major threat to the global health and a significant concern throughout the clinical treatment of diseases and drug development.
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