"Interpretable Deep-Learning pKa Prediction for Small ..."

Joseph Decorte et al. (2025)

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DOI: 10.1021/ACS.JCIM.4C01472

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type: Journal Article

metadata version: 2025-11-02

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Joseph Decorte, Benjamin P. Brown, Rathmell Jeffrey, Jens Meiler:
Interpretable Deep-Learning pK_a Prediction for Small Molecule Drugs via Atomic Sensitivity Analysis. J. Chem. Inf. Model. 65(1): 101-113 (2025)

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