Archive for the ‘Open Access’ Category

Journal of Cheminformatics receives Impact Factor of 3.42

We just wanted to update you with some good news from the Journal of Cheminformatics. The Thomson / ISI 2011 Journal Impact Factors were just released, and the Journal of Cheminformatics received an Impact Factor of 3.42 – the first year we have been given an impact factor. This is very high for a new […]

ChEBI release 57, now with links to NMRShiftDB

Congratulations to the ChEBI team for publishing ChEBI version 57. ChEBI Release 57 now contains links to NMRShiftDB. Search ChEBI for “caffeine”, for example, and you find the link to the carbon NMR spectrum of caffeine on the “automatic XREFs” page of ChEBI, in the “Small Molecules” section. ChEBI now contains just under 17,963 manually […]

NMRShiftDB now with more than 12.000 proton spectra

The number of structures and spectra in NMRShiftDB now exceeds 31.000 and 35.000, respectively. The number of proton spectra alone is now 12.934. This is due to NMRShiftDB developer Stefan Kuhn in my group importing a recent donation from our collaborators Reinhard Dunkel and Heinz Kolshorn. Thanks to Heinz and Reinhard for their generosity.

ChEBI release 56, now with SD file

We are pleased to announce release 56 of our database of Chemical Entities of Biological Interest (ChEBI). SDF files are now available with ChEBI Release 56. They can be exported via the Downloads section or the search results page. We also have automatically generated links from IntEnz ( and Rhea ( This release contains 17842 […]

Open Access Journal of Cheminformatics now live!

I’m delighted to announce that the first open access journal of our field, the Journal of Cheminformatics, is now live and has published its first articles.  Journal of Cheminformatics is a new open access journal from Chemistry Central publishing peer-reviewed research in all aspects of cheminformatics and molecular modelling.  It is run by Editors-in-Chief David […]

“new open source era … for better drugs”

As we learn from a rather poorly written article over at xconomy, “Biology has never really had a social-networking movement like open-source computing, where thousands of loosely-affiliated people around the world pool brainpower to make better software”. If you translate that into what was needed for biology (or chemistry) according to the xconomy author, it […]

Industry-funded medical research will double your impact factor

The Guardian has a nice piece by Ben Goldarcre reporting about a study published by the British Medial Journal entitled “Relation of study quality, concordance, take home message, funding, and impact in studies of influenza vaccines: systematic review”. Both the newpaper article and the study are worth reading and seem to be open. Besides many […]

Open Access Publishing in the Chemical Sciences

I was invited to give my views on some new chemistry in European Bioinformatics at a Meeting held by the CICAG group of the Royal Society, held at Burlington House, London. Peter Murray-Rust set the scene by emphasising the importance for Open Data. He showed some fantastic work on data extraction by OSCAR from theses, […]