Assessing the information content of structural and protein-ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning

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Authors: Raquel Rodríguez-Pérez; Filip Miljković; Jürgen Bajorath

Journal title: Journal of Cheminfomatics

Journal number: 3

Journal publisher: Chemistry Central

Published year: 2020

DOI identifier: 10.5281/zenodo.3759400

ISSN: 1758-2946