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    • Gerard J. P. van Westen

    3 results in Gerard J. P. van Westen in Authors: Gerard J. P. van Westen

    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Papyrus - A large scale curated dataset aimed at bioactivity predictions

    , Authors: Olivier J. M. Béquignon, Brandon J. Bongers, Willem Jespers, Ad P. IJzerman, Bob van de Water, Gerard J. P. van Westen

    755
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    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning

    , Authors: Xuhan Liu, Kai Ye, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

    448
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Identifying Novel Inhibitors for Hepatic Organic Ani-on Transporting Polypeptides by Machine-learning based Virtual Screening

    , Authors: Alzbeta Tuerkova, Brandon Bongers, Ulf Norinder, Orsolya Ungvári, Virag Szekely, Andrey Tarnovskiy, Gergely Szakács, Csilla Özvegy-Laczka, Gerard J. P. van Westen, Barbara Zdrazil

    186
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