Chemistry42: An AI-Driven Platform for Molecular Design and Optimization

    February 2023 in “ Journal of Chemical Information and Modeling ”
    Yan A. Ivanenkov, Daniil Polykovskiy, Dmitry S. Bezrukov … Alex Zhavoronkov
    Studysummary In this paper, Chemistry42—a software integrating AI with computational and medicinal chemistry—demonstrated efficiency in designing novel molecular structures targeting DDR1 and CDK20, with properties validated in both <i>in vitro</i> and <i>in vivo</i> studies.
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