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  1. 1
    MolAnchor method for explaining compound predictions based on substructures

    MolAnchor method for explaining compound predictions based on substructures by Alec Lamens, Jürgen Bajorath

    Published 2024-12-01
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  2. 2
    Dual-target candidate compounds from a transformer chemical language model contain characteristic structural features

    Dual-target candidate compounds from a transformer chemical language model contain characteristic structural features by Sanjana Srinivasan, Alec Lamens, Jürgen Bajorath

    Published 2025-12-01
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