reactionSmilesFigShare.txt
收藏NIAID Data Ecosystem2026-03-13 收录
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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 collection 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
创建时间：
2022-07-10
