Reaction SMILES dataset
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://figshare.com/articles/dataset/Reaction_SMILES_dataset/22491730
下载链接
链接失效反馈官方服务：
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
创建时间：
2023-04-01
