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  1. 1
    Bayesian Optimization for Chemical Reactions

    Bayesian Optimization for Chemical Reactions by Jeff Guo, Bojana Ranković, Philippe Schwaller

    Published 2023-02-01
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  2. 2
    DockStream: a docking wrapper to enhance de novo molecular design

    DockStream: a docking wrapper to enhance de novo molecular design by Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter

    Published 2021-11-01
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