Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary and ontology of molecular entities focused on ‘small’ chemical compounds hosted and maintained by the European Bioinformatics Institute (EBI). The term ‘molecular entity’ refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a […]
The February issue (V80, No 2, P 277-410) of IUPAC’s Pure and Applied Chemistry Journal has a 133 pages of IUPAC recommendations for the Graphical Representation Standards for Chemical Structure Diagrams. In the Blue Obelisk context, this material is both valuable for the development of our structure representation and editing tools (JChemPaint, JCPViewer) as well […]
Today was the absolute highlight in my culinary life. I had lunch at the fabulous restaurant “Schwarzwald Stube”, headed by Harald Wohlfahrt, one of Germany’s 3-Michelin-Star chefs. We went for the great 7 course menu which kept us entertained for about 4.5 hours. Following an amuse bouche, we started with tartar and mousse of mildly […]
A company called InfoCom, located in Arizona, advertises a product called iBioTech , which by all evidence is identical with Bioclipse. They say their iBioTech product has a plugin for chemoinformatics call “bc_cdk” (surprise :-)) and one called “bc_jmol” for 3D visualization. While this is something that we have explicitly not tried to prevent; still […]