CYPs

Activity scores from an NIH HTS screening of five isozymes of cytochrome P450 against 17K compounds, merged with the 2-D descriptors of those compounds as generated by the program Molecular Opreating Environment. Datasets are separated by isozyme.本数据集源自美国国立卫生研究院（National Institutes of Health，NIH）的高通量筛选（High-Throughput Screening，HTS）实验：针对5种细胞色素P450（cytochrome P450）同工酶，对17000种化合物完成筛选后得到活性评分，同时整合了由分子操作环境（Molecular Operating Environment，MOE）程序生成的对应化合物的二维分子描述符。所有数据集均按同工酶类别进行划分。