Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons
Author:
Affiliation:
1. Centre de Recherche en Cancérologie de Marseille, Marseille 13009, France
2. Department of Bioengineering, Imperial College London, London SW7 2AZ, U.K.
Funder
Royal Society
Fondation ARC pour la Recherche sur le Cancer
Wolfson Foundation
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00218
Reference46 articles.
1. A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking
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