Compound activity data sets for 15 biological targets compiled from the ChEMBL and PubChem databases.
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https://zenodo.org/record/5748596
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资源简介：
Compound activity data sets for the 15 biological targets are deposited, along with structure-activity relationship matrices IDs. Active compounds were extracted from the ChEMBL database and inactive were from the PubChem database. Details of the data sets are described in the original publication. and the summary of the data sets is given in the readme.txt file.
创建时间：
2022-03-08
