PDF) New machine learning and physics-based scoring functions for drug discovery
Schematic of this work including data sources (blue), scoring functions
Drug discovery
Machine-learning scoring functions for molecular docking
IJMS, Free Full-Text
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New machine learning and physics-based scoring functions for drug discovery. - Abstract - Europe PMC
Drug–target interaction prediction based on protein features, using wrapper feature selection
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants
Improved Prediction Of Ligand-Protein Binding Affinities By Meta-Modeling
The Application of Artificial Intelligence Accelerates G Protein-Coupled Receptor Ligand Discovery - ScienceDirect
