Congratulations to the ChEBI team for publishing ChEBI version 57. ChEBI Release 57 now contains links to NMRShiftDB. Search ChEBI for “caffeine” PuTTY quit command , 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 […]
We received our official award letter from BBSRC Tools and Resources Fund today for the ChEBI ontology development grant. Needless to say, we are thrilled. We are now going to work together with Michael Ashburner’s group at the University of Cambridge to align ChEBI with other OBO Foundry ontologies by adoption of the Basic Formal […]
The number of structures and spectra in NMRShiftDB now exceeds 31.000 and 35.000 puttygen ssh , 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 […]
It’s going to be all over the place soon anyway, so I’ll make it short: The Royal Society of Chemistry has announced that it has aquired ChemSpider. This is great news and I’m confident that it will be a move to even more openess in chemistry and cheminformatics. It will also allow the RSC to […]
With ChEBI release 56 behind us, I thought I’d share some insight into how ChEBI is created and what we do to prepare a release. In the last years, the ChEBI team on average consisted of two software engineers maintaining and improving the software and two to three curators doing the data entry and curation. […]
Following a recommendation by a colleague, I went to the Asia on Regent Street in Cambridge. They describe themselves as pan-Asian but I felt that there was a bit much emphasis on the indian subcontinent to be truely pan-asian. The interior is “basic”, simplicity rules, and I had a nice table with a view on […]
Looking for a truly outstanding Japanese dining experience in a really unusual interior? The Shiro i Shiro – in waling distance to the Alexanderplatz – is it. We asked them for selection of their choice and got: Miso soup and silk tofu Poached egg in a smoked broth A selection of sushi and sashimi and […]