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A practical guide to machine-learning scoring for structure-based virtual screening

Viet‐Khoa Tran‐Nguyen, Muhammad Junaid, Saw Simeon, Pedro J. Ballester

2023Nature Protocols88 citationsDOI

Topics & Concepts

Virtual screeningComputer scienceArtificial intelligenceMachine learningComputational biologyBioinformaticsBiologyDrug discoveryComputational Drug Discovery MethodsCell Image Analysis TechniquesGenetics, Bioinformatics, and Biomedical Research
A practical guide to machine-learning scoring for structure-based virtual screening | Litcius