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    A physics-inspired approach to the understanding of molecular representations and models

    A physics-inspired approach to the understanding of molecular representations and models by Dicks, Luke, Graff, David E, Jordan, Kirk E, Coley, Connor W, Pyzer-Knapp, Edward O

    Published 2025
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  2. 2
    Evaluating the roughness of structure–property relationships using pretrained molecular representations

    Evaluating the roughness of structure–property relationships using pretrained molecular representations by Graff, David E, Pyzer-Knapp, Edward O, Jordan, Kirk E, Shakhnovich, Eugene I, Coley, Connor W

    Published 2025
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