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  1. Article

    Open Access

    AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data

    Develo** compounds with novel structures is important for the production of new drugs. From an intellectual perspective, confirming the patent status of newly developed compounds is essential, particularly f...

    Yugo Shimizu, Masateru Ohta, Shoichi Ishida, Kei Terayama in Journal of Cheminformatics (2023)

  2. Article

    Open Access

    A new workflow for the effective curation of membrane permeability data from open ADME information

    Membrane permeability is an in vitro parameter that represents the apparent permeability (Papp) of a compound, and is a key absorption, distribution, metabolism, and excretion parameter in drug development. Al...

    Tsuyoshi Esaki, Tomoki Yonezawa, Kazuyoshi Ikeda in Journal of Cheminformatics (2024)