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Datesets belonging to the publication: Baltruschat M and Czodrowski P. Machine learning meets pKa [version 2; peer review: 2 approved]. F1000Research 2020, 9(Chem Inf Sci):113 (https://doi.org/10.12688/f1000research.22090.2) Corresponding GitHub repository: https://github.com/czodrowskilab/Machine-learning-meets-pKa
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