We are accepting submissions of abstracts for consideration for an ACS Division of Chemical Information (CINF) Symposium on Cheminformatics Opportunities in Personalized Medicine and Chemogenomics. This session will bring together researchers investigating computational chemistry and cheminformatics to study the development of drugs based on our knowledge of genomes and to develop better methods to personalize […]
Courtesy of Andres Rueda, Flickr There are still places available at the 2012 conference on Therapeutic Applications of Computational Biology and Chemistry (TACBAC), 12-14 March 2012, at the Wellcome Trust Conference Centre, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK This conference will bring together leading researchers investigating computational chemistry and biology techniques as applied to advancing our […]
I’m co-organizing the 2012 conference on Therapeutic Applications of Computational Biology and Chemistry (TACBAC), 12-14 March 2012, at the Wellcome Trust Conference Centre, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK This conference will bring together leading researchers investigating computational chemistry and biology techniques as applied to advancing our ability to predict, diagnose and modulate human disease. This […]
I’ve decided to merge my two blogs which, so far, I wanted to keep separate because of their potentially different readership. But now I think that they are just two connected aspects of my life and, hey, a weblog should report about exactly this. Within certain boundaries, of course :-). So, while Steinblog was about […]
There are a few seats left for the 5th German Conference on Cheminformatics in Goslar and we’ll extend the deadline a bit to give you the chance to register if you haven’t done so. The GCC is a great chance to meet with around 200 other participants from all areas of life science informatics and […]
First Call for Papers: Computational Aspects of Metabolomics 239th ACS National Meeting San Francisco, March 21-25, 2010 CINF Division We now invite papers for our symposium on computational aspects of Metabolomics at the 239th National Meeting of the American Chemical Society (ACS) in San Francisco next spring. Metabolomics studies the occurrence and change of concentrations […]
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 […]
The CDK workshop 2009 is over and what is left is a bad cold. But I’ll get over it. The workshop itself was phantastic – we had 40 participants with well balanced contributions from industry and academia. The first half day was dedicated to tutorials on various aspects of CDK, basic installation, our CDK and […]
Oliver Karch from Merck-Serono gave the last talk on Tuesday morning, showing how to visualize CDK to visualize molecular spaces in a way “as easy as Google Earth”. They us a workflow with Pipeline Pilot, a MolWind Server, which is Java and Apache based and then render 2D structures with CDK. The NASA Molwind client […]
In the second research talk on Tuesday morning Asad from EBI talks about his research on finding pathes in metabolic networks. Asad and I have been working together CUBIC in Cologne and are now again colleagues at EBI. Goal of his work has been to find patterns in biological reaction networks. His first examples deals […]
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