Skip to main content

Posts

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 records1,686,695 compounds (of which 1,678,393 have mol files)14,371,219 activities1,246,132 assays11,224 targets65,213 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 worked with the BindingDB team to integ…

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.