Interpretation of Compound Activity Predictions from Complex Machine Learning Models Using Local Approximations and Shapley Values

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Authors: Raquel Rodríguez-Pérez, Jürgen Bajorath

Journal title: Journal of Medicinal Chemistry

Journal number: September 12, 2019

Journal publisher: American Chemical Society

Published year: 2019

Published pages: NA

DOI identifier: 10.1021/acs.jmedchem.9b01101

ISSN: 0022-2623