Molecule library and Results summary
收藏DataCite Commons2022-04-18 更新2024-07-29 收录
下载链接：
https://figshare.com/articles/dataset/Molecule_library_and_Results_summary/19255067
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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：
2022-03-01
