Molecule library and Results summary
收藏数据链接：
官方服务：
资源简介：
The excel file contains several subtables summarizing the CHEMBL upload files.1) reference.txt contains reference paper details like title, DOI, authors2) compound_record contains the entire list of molecules with smiles, name (synomyms) and Pubchem CID identifiers3) CHEMBL ASSAY metadata 4) Activity contains in a tidy table ALL the screening results froma) primary screening (as %inhibition at one concentration), b) IC50 of phenotypic assay in VERO--E6 cellsc) CC50 of cytotoxic effect without virusd) Selectivity Index calculated as CC50/IC50
提供机构：
figshare创建时间：
2022-03-07
