BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Prioritizing virtual screening with interpretable interaction fingerprints
Alexandre Victor Fassio, Laura Shub, Luca Ponzoni…·Raquel C. de Melo-Minardi
The paper introduces LUNA, a toolkit that generates interpretable interaction fingerprints for protein-ligand interactions to improve machine learning-based virtual screening.
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