Archive for June, 2009

Historical CDK document unearthed

In a heroic act, our collaborator Dan Gezelter, University of Notre Dame, has unearthed an historical document about our Chemistry Development Kit (CDK) from a SCSI DDS-4 tape he found somewhere on his attic. This morning, I found an email from Dan in my Inbox saying: I finally located a working SCSI DDS-4 tape drive […]

Journal of Cheminformatics – An Update

The Journal of Cheminformatics, of which I have the pleasure to be editor-in-chief together with David Wild in Indiana, has now published its first few articles. We’ve been busy selecting and reviewing papers which we feel suitably demonstrate the scope of knowledge and quality we are looking to cover in the new journal. I think […]

5th German Conference on Chemoinformatics: Call for Papers

The CIC division of the German Chemical Society announces the 5. German Conference on Chemoinformatics to be held in Goslar, Germany, November 8 – 10, 2009. Goslar’s old town is a UNESCO world heritage site. We are inviting the submission of abstracts for talks and posters in the following plenary sessions: Chemoinformatics and Drug Discovcery […]

New ChEBI team members

I’m glad to announce that the recent round of recruitment for the ChEBI team has been completed. We have two new colleagues,  Steve Turner, our new Chemistry Curator, and Adriano Dekker, our new Software Engineer. Both will work with us to make ChEBI fit for the inclusion of more then 500.000 new ChEBI entries. Those […]

Geek Knighthood: Blue Obelisk on Slashdot

We made it! Well, actually, as usual, Peter made it. His cleverly worded blog item about the “Doktor Who” model of Open Source development caught Glyn Moody’s attention who then managed to get it accepted as a Slashdot news item.  All you geeks out there know that this is a great honor. None of my […]

Reviewing the CDK VFLIB patch

It is my duty today to review a patch for some piece of CDK code again. I blogged about this process earlier. This particular patch was submitted by Mark Rijnbeek in my team via the CDK patch tracker. I first go to the patch page, assign the patch to myself and set the patch status […]

Quarterly report for the EBI industry programme

I’m giving my quartly report on progress in my area for the EBI industry programme. Here is what I will elaborate on: We received a ChEBI BBSRC grant for ontology development. We are in the process of hiring five new ChEBI team members at the moment – one, our new curator Steve Turner, has arrived […]

New NMRShiftDB node at EBI

NMRShiftDB is a database of organic compounds and their nuclear magnetic resonance (NMR) data. At present, we hold 30.000 compounds and 1D NMR spectra for carbon, proton and some other nuclei. NMRShiftDB developer Stefan Kuhn, in collaboration with the EBI systems group, has now established an NMRShiftDB node at the European Bioinformatics Institute (EBI), which […]