Carboxylic acid data
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Public dataset containing carboxylic acids and their pKa values, in addition to compounds such as boronic acids, sulfonic acids and inorganic acids. Retrieved from Pubchem.[1] The data serves the reproduction of parts of the supplementary information to the manuscript 'Conformal efficiency as a metric for comparative model assessment befitting federated learning'. [1] S. Kim, J. Chen, T. Cheng, A. Gindulyte, J. He, S. He, Q. Li, B.A. Shoemaker, P.A. Thiessen, B. Yu, L. Zaslavsky, J. Zhang, E.E. Bolton, PubChem in 2021: New data content and improved web interfaces, Nucleic Acids Res. 49 (2021) D1388–D1395. https://doi.org/10.1093/nar/gkaa971.
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Zenodo创建时间：
2022-12-02
