Carboxylic acid data
收藏NIAID Data Ecosystem2026-03-14 收录
下载链接：
https://zenodo.org/record/7391019
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资源简介：
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.
本公开数据集包含羧酸及其pKa值，同时涵盖硼酸、磺酸及无机酸等化合物，数据源自PubChem（PubChem）[1]。本数据集可用于复现论文《保形效率作为适配联邦学习的比较模型评估指标》补充材料中的部分内容。
[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在2021年：新增数据内容与优化的网页界面，《核酸研究》（Nucleic Acids Res.）49(2021) D1388–D1395，https://doi.org/10.1093/nar/gkaa971.
创建时间：
2023-01-04
