Reaction SMILES USPTO year 2023
收藏DataCite Commons2023-12-31 更新2024-08-18 收录
下载链接：
https://figshare.com/articles/dataset/Reaction_SMILES_USPTO_year_2023/24921555
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资源简介：
Collection of reaction SMILES (reactants, reagents, solvents, products) from USPTO as published in 2023. 137K lines total. Data scraping by custom design. Data extraction by OSCAR (semantic) and ChatGPT (LLM), molecule identification by OPSIN and custom synonym list. All SMILES are RDKit-safe. Please note that the data have been collected in an automated process, the dataset is certainly not without errors.
提供机构：
figshare
创建时间：
2023-12-31
