ChEMBL 13 Released

We are pleased to announce the release of ChEMBL_13. This latest version of the ChEMBL database contains:

1,296,266 compound records
1,143,682 distinct compounds
617,681 assays
6,933,068 bioactivities
8,845 targets
44,682 documents
8 data sources

This release includes updates to the manually extracted Medicinal Chemistry literature, updates to OrangeBook drug approvals and a update from PubChem BioAssay. This release also contains data sets related to screening against human African Trypanosomiasis and Chagas disease. Both data sets have been deposited by the Drugs for Neglected Diseases Initiative (DNDi). For more details, please see ChEMBL-NTD website.

Please refer to the ChEMBL_13 release notes for a more detailed description of all changes included in this release.

We have also made a couple of minor updates to the interface which include

New Ligand Efficiency widget, which is displayed on the Target report card pages (e.g. CHEMBL331)

Added external links to Pfam, Array Express and Human Protein Atlas on the Target report card pages

Added external links to ATC/DDD Index on Compound report card pages (e.g. CHEMBL1642)

You can download the data from the ChEMBL ftpsite: ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/

Comments

Egon Willighagen said…

The correct link to the release notes is:

ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_13/chembl_13_release_notes.txt

4 March 2012 at 08:23

Mark Davies said…

Thanks Egon, release notes link fixed

4 March 2012 at 10:20

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