MACHINE LEARNING-BASED POLYMER SURFACE ENERGY PREDICTION SYSTEM

    公开(公告)号:US20250087308A1

    公开(公告)日:2025-03-13

    申请号:US18580774

    申请日:2022-08-03

    Abstract: A method includes determining a plurality of molecular descriptors, each molecular descriptor of the plurality of molecular descriptors associated with at least one of an atomic scale property, a molecular scale property, and a compound-scale property. The method further includes selecting, by a selection operator and based on a minimization of an error, a subset of the plurality of molecular descriptors that affect a polymer surface energy, training a machine learning model to predict a polymer surface energy of a given polymer based on the subset of molecular descriptors and predicting, via the trained machine learning model, a surface energy of an input polymer.

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