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 […]
The Wednesday morning session is about to start. Paul Labute chairs it. Tom Blundell of Cambridge starts with “Exploring Biological and Chemical Space with High-Throughput Crystallographic, Biophysical and Computational Methods: The new Dimensions of Drug Discovery”. Tom starts with a view on a cell, stating its complicatedness or complexity. He points out the large number […]
… with a reasonably small footprint … and we’ll soon have one that is actually usable. Well, with the JChemPaint applet, as used in NMRShiftDB, we do have an open source structure drawing applet available but we (as in “the makers”) have to admit that it still has a pretty big foot print. If you […]
I’m very delighted to announce my move to the European Bioinformatics Institute (EBI) in Hinxton near Cambridge, UK, at the beginning of 2008. At EBI, I will re-establish my research group and become leader of the chemoinformatics-related service teams, including the ChEBI and Reactome teams. Future Directions at EBI All of my ongoing research projects […]
Scientists at the University of Alberta have published a database with small molecules from human metabolism.
On Sunday, September 10th, I will talk about “Technological and Social Aspects of Collaboratively Developed Chemical Information Systems (CIS)” at the ACS meeting in San Francisco.