Beware of Machine Learning-Based Scoring Functions—On the Danger of Developing Black Boxes
Author:
Affiliation:
1. Laboratoire d’Innovation Thérapeutique, UMR 7200 CNRS-Université de Strasbourg, 74 route du Rhin, F-67400 Illkirch, France
Funder
Agence Nationale de la Recherche
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/ci500406k
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4. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database
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