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Showing posts from September, 2016

ChEMBL 22 Released

We are pleased to announce the release of ChEMBL 22. 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 Data can be downloaded from the ChEMBL ftpsite or viewed via the ChEMBL interface . Please see ChEMBL_22 release notes for full details of all changes in this release. CHANGES SINCE THE LAST RELEASE In addition to the regular updates to the Scientific Literature, PubChem, FDA Orange Book and USP Dictionary of USAN and INN Investigational Drug Names this release of ChEMBL also includes the following new data: Deposited Data Sets: Two new deposited data sets have been included in ChEMBL_22: the MMV Pathogen Box compound set ( http://www.pathogenbox.org ) and GSK Tres Cantos Follow-up TB Screening Data ( http://dx.doi.org/10.1371/journal.pone.0142293 ). Patent Data from BindingDB: We have wo

ChEMBL_22 is coming soon....

ChEMBL_22 will be released in the next week or two. For those of you who want to plan ahead, here is a preview of the new schema (full documentation here ) We would also like to inform users that we plan to discontinue the Oracle 9i download format after this release. Please  contact us  as soon as possible if you rely on this version.