Organic reaction SMILES 1.44M dataset
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资源简介：
Dataset of 1.44 million organic reaction SMILES. The zip file contains one text file (.txt) with size 223 MB. Each line contains a reaction SMILES of the type reactant>solvents.reagents.catalysts>products. The SMILES strings are RDkit safe. Data taken from patents (USPTO, EPO) and academic literature. See https://kmt.vander-lingen.nl for more information.
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Zenodo创建时间：
2025-12-31
