AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology - researchr publication

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Hongle An, Xuyang Liu, Wensheng Cai, Xueguang Shao. AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology. Journal of Chemical Information and Computer Sciences, 64(14):5480-5491, 2024. [doi]

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