euroSAMPL1 challenge data and analysis
收藏DataCite Commons2025-08-12 更新2026-05-04 收录
下载链接：
https://radar4chem.radar-service.eu/radar/en/dataset/dfqzn3tat216pyzy
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资源简介：
The euroSAMPL1 challenge was devoted to the prediction of aqueous pKa values of small drug-like molecules provided as SMILES strings and, as a novel challenge component, included a peer evaluation of submissions concerning FAIR criteria as well as reproducibility (FAIR+R).
提供机构：
TU Dortmund University,Johannes Gutenberg University Mainz,University of Göttingen
创建时间：
2025-08-12
