Revealing cytotoxic substructures in molecules using deep learning

Henry E. Webel, Talia B. Kimber, Silke Radetzki, Martin Neuenschwander, Marc Nazaré, Andrea Volkamer. Revealing cytotoxic substructures in molecules using deep learning. Journal of Computer-Aided Molecular Design, 34(7):731-746, 2020. [doi]

Authors

Henry E. Webel

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Talia B. Kimber

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Silke Radetzki

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Martin Neuenschwander

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Marc Nazaré

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Andrea Volkamer

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