BiophysicsDigital DiscoveryPeer-reviewed
Explainable Active Learning Framework for Ligand BindingAffinity Prediction
Satya Pratik Srivastava, Rohan Gorantla, Sharath Krishna Chundru…·Rajeev Kumar Singh
This paper develops an explainable active learning framework for ligand binding affinity prediction, showing that method choices affect outcomes but dataset characteristics set performance limits.
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