The ChEMBL-og

We're speaking at the forthcoming EMBL Conference on Omics and Personalised Healthcare  in Heidelberg, held 16th to 18th February 2012. We'll present some of our recent work on pharmacogenetic variation, and some strategies on both data-mining and some of the implications for drug discovery.

A number of the ChEMBL team will be at the ACS in San Diego next March - we'll be giving a couple of talks -  one is one drug safety (jpo) one is on peptide SAR analysis and design (Patricia Bento) and the final one is on UniChem (Jon Chambers). So hopefully see you there! We'll be spending some time in the lab of one of our close collaborators - Mike Gilson at UCSD , but we're happy to meet up with others, give talks, training, etc . as time and travel schedules permit. So if you're interested in this, get in touch. Update: Fixed post, to reflect three accepted talks. PAPER ID: 20839 PAPER TITLE: "Drug combinations to reduce adverse drug reactions and improve intrapatient differences in response" DIVISION: CINF: Division of Chemical Information SESSION: Systems Chemical Biology and Other PAPER ID: 22715 PAPER TITLE: "UniChem: A prototype unified chemical structure cross-referencing and identifier tracking system" DIVISION: CINF: Divi...

We would like to announce the release of new version Kinase SARfari. The latest version has been updated using the chembl_12 data, which contains: Bioactivity datapoints: 503041 (+15%) Compounds: 54189 (+6%)   Various dumps of the data from Kinase and GPCR SARfari are also downloadable from the download page.  Of course, we welcome feedback from our users!

We used to use Spotfire DecisionSite for data visualisation, and liked it a lot - we've just found out there are some pretty major changes to the licensing; and are now looking for alternatives if we can't work out a way forward. So, any suggestions for good data exploration tools, preferably with some sort of chemistry capabilities. Ideally they would run natively on Mac OsX. Ideas in the comments please.....

Here's the equivalent view of drug approvals for 2011 so far - pretty similar picture in terms of the distribution of molecule classes - but remember this set of drug approvals, got their USANs assigned, on average about 3 to 4 years ago, so the sets are not strictly comparable, and of course, suffer from small absolute numbers....

As part of our tradition of making Xmas seasonal eCards to all our users - above is the December 2012 card. For the geeky amongst you, there may be an Easter Egg in the image file....