Molecular de-novo design through deep reinforcement learning

Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. Molecular de-novo design through deep reinforcement learning. J. Cheminformatics, 9(1), 2017. [doi]

Authors

Marcus Olivecrona

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Thomas Blaschke

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Ola Engkvist

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Hongming Chen

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