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    • Gerard J. P. van Westen

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

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

    Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling

    , Authors: Marina Gorostiola González, Olivier J. M. Béquignon, Emma Manners, Anna Gaulton, Prudence Mutowo, Elisabeth Dawson, Barbara Zdrazil, Andrew R. Leach, Adriaan P. IJzerman, Laura H. Heitman, Gerard J. P. van Westen
    Version 1 posted 24 June 2024
    302
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool

    , Authors: Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, Sohvi Luukkonen, Linde Schoenmaker, Michiel Jespers, Olivier J. M. Béquignon, Marina Gorostiola González, Remco L. van den Broek, Andrius Bernatavicius, J. G. Coen van Hasselt, Piet. H. van der Graaf, Gerard J. P. van Westen
    Version 1 posted 05 March 2024
    499
    Downloads