Reaction SMILES dataset
收藏Figshare2023-04-01 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Reaction_SMILES_dataset/22491730/1
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资源简介：
Reaction SMILES dataset update (now 733K), each line in the file represents a valid reaction SMILES. Source material US patents (2005 - 2016) collection by Daniel Lowe with data enhancement. Source material also includes reaction SMILES drawn from the general literature. Also includes USPTO data from 2022 and 2023. 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：
2023-04-01
