ChEMBL 22 Released
29 09 16- Filed In:Databases | Cheminformatics
ChEMBL 22 has been released. ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).
This version of the database, prepared on 8th August 2016 contains:
- 2,043,051 compound records
- 1,686,695 compounds (of which 1,678,393 have mol files)
- 14,371,219 activities
- 1,246,132 assays
- 11,224 targets
- 65,213 documents
There is more information in the ChEMBL blog post