Compound activity data sets for 15 biological targets compiled from the ChEMBL and PubChem databases.

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.本次共提交了针对15个生物靶点的化合物活性数据集，以及构效关系矩阵（structure-activity relationship matrices）的标识符。活性化合物提取自ChEMBL数据库，非活性化合物则来源于PubChem数据库。该数据集的详细信息已在原始发表文献中详述，数据集的汇总说明则收录于readme.txt文件中。