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A couple of us attended the 3rd RDKit UGM, hosted by Merck in Darmstadt this year. It was an excellent opportunity to catch up with RDKit developments and applications and meet up with other loyal "RDKitters".I presented a talk-torial there and went through...
It is common practice for organizations and companies to make use of proxy servers to connect to services outside their network. This can cause problems for users of the ChEMBL web services who sit behind a proxy server. So to help those users who have asked,...
PPDMs has been in the making for more than a year and is a follow-up on a conference paper we published in 2012. As in 2012, our objective is to map small molecule binding sites to protein domains, the structural units that form recurring building blocks in...

Most popular posts

We are pleased to announce the release of ChEMBL_13. This latest version of the ChEMBL database contains: 1,304,115 compound records1,143,682 distinct compounds617,681 assays6,933,068 bioactivities8,845 targets44,68 documents8 data sources This release includes...
We are pleased to announce the release of ChEMBL_11. This latest version of the ChEMBL database contains: 1,195,368 compound records1,060,258 distinct compounds 582,982 assays5,479,146 activities8,603 targets42,516 documents7 activity data sources You can download...
We are pleased to announce the release of ChEMBL_10. This latest version of the ChEMBL database contains: 1,118,566 compound records1,000,468 distinct compounds534,391 assays4,668,202 bioactivities8,372 targets40,624 documents6 data sources This release of...

Latest posts linking here

This have been introduced and cogitated upon in a number of places, including the usual NRDD 2011 FDA drug approvals article, but I will include open links from the ChEMBL Blog.  There is a lot of useful information and context in these, including target...
ChEMBL 13 has been released.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...
Last week, ChEMBL 13 was released, with even more data, data fixes, etc. Since my RDF for ChEMBL 09 my workflow has become more solid and uses more common ontologies, started using more common ontologies and ontologies I just like, such...