SYSTEM AND METHOD FOR ESTIMATING SOLUBILITY

    公开(公告)号:US20220415450A1

    公开(公告)日:2022-12-29

    申请号:US17850722

    申请日:2022-06-27

    Abstract: A method of estimating solubility includes obtaining input data representing a chemical structure of a target material; generating at least one descriptor based on the input data; obtaining at least one solubility parameter by providing the at least one descriptor to a machine learning model trained based on chemical structures and sample solubility parameters of sample materials; and calculating the solubility based on the at least one solubility parameter, wherein the at least one descriptor includes at least one of a zero-dimensional descriptor, a one-dimensional descriptor, a two-dimensional descriptor, or a three-dimensional descriptor, each representing the chemical structure of the target material.

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