reactionSmilesFigShare.txt
收藏Figshare2022-07-10 更新2026-04-08 收录
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https://figshare.com/articles/dataset/reactionSmilesFigShare_txt/20279733/1
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资源简介：
A reaction SMILES dataset (234K), each line in the file represents a valid reaction SMILES. Source material US patents <sub>collection</sub> by Daniel Lowe with data enhancement. Source material also includes reaction SMILES drawn from the general literature. All SMILES are valid by RDKit. Also see https://kmt.vander-lingen.nl
提供机构：
van der Lingen, Rik
创建时间：
2022-07-10
