Prioritizing virtual screening with interpretable interaction fingerprints
Alexandre Victor Fassio, Laura Shub, Luca Ponzoni, Jessica L. McKinley, Matthew J. O’Meara, Rafaela Salgado Ferreira, Michael J. Keiser, 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.
Journal of Chemical Information and Modeling · Sep 14, 2022Peer-reviewedBioinformatics