829 drug-like molecules intrinsic solubility dataset
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下载链接:
https://zenodo.org/record/3968753
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资源简介:
Data collection, curation as well as feature calculation are described in 10.26434/chemrxiv.12746948
Please cite the paper if you intend to use the data.
descriptors.csv - File with SMILES index and descriptor data
fingerprints.csv - File with SMILES index and fingerprints
solubility_data.csv - File with SMILES index, splitting indices and target: logS0
创建时间:
2020-08-30



