euroSAMPL1 challenge data and analysis
收藏DataCite Commons2025-09-02 更新2026-05-05 收录
下载链接：
https://data.tu-dortmund.de/citation?persistentId=doi:10.17877/TUDODATA-2025-M6KPZZGR
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资源简介：
This dataset contains following subfolders:<br/>
<b>Compounds:</b> The compounds for which the p<i>K</i><sub>a</sub> value had to be predicted<br/>
<b>Experimental_data</b>: Data from Sirius T3 measurements</br>
<b>Template:</b> Empty submission template as supplied to participants<br/>
<b>Submissions:</b> Metadata, submitted values and optional raw data supplied by the participants and their individual evaluation<br/>
<b>Analysis:</b> Statistical analysis of all submissions
提供机构：
TUDOdata
创建时间：
2025-01-31
