Molecular de-novo design through deep reinforcement learning

Summary

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Authors: Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen

Journal title: Journal of Cheminformatics

Journal number: 9/1

Journal publisher: Chemistry Central

Published year: 2017

Published pages: 48-59

DOI identifier: 10.1186/s13321-017-0235-x

ISSN: 1758-2946