Pubchem_20260224_Filtered
收藏Figshare2026-03-22 更新2026-04-28 收录
下载链接：
https://figshare.com/articles/dataset/Pubchem_20260224_Filtered/31829611
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资源简介：
A filtered Pubchem dataset (snapshot 24/02/2026) containing pubchemid, canonical smiles, and 43 descriptors calculated based on smiles using RDKit.Original PubChem (snapshot 24/02/2026): 123,475,764 compoundsFiltered: 6,004,131 compoundsThe filter (Ro3):MW 50 - 300; CLogP
创建时间：
2026-03-22
