"AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural ..."

Hongle An et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C00449

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type: Journal Article

metadata version: 2024-08-22

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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. J. Chem. Inf. Model. 64(14): 5480-5491 (2024)

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