Journal of Chemical Information and Modeling 50th Anniversary

Received a mail from Wendy Warr that the Journal of Chemical Information and Modeling now is 50th Anniversary old, and that they put up a special webpage: less than 1 minute read

Validating MDL SD files and Symyx molfiles with the CDK

Bioclipse 2.0 introduced a new, powerful molecular table support, and we have been eager to test that on large SD files. A recent ChEBI SD file failed to open, and eyes were immediately at the CDK, which is the cheminformatics library used in Bioclipse. 3 minute read

CDK 1.2.5: the changes

Mostly license statement fixes (thanx to Andrew for caring about it!), and a bug fix in the UniversalIsomorphismTester: 1 minute read

Semantic Web features in Bioclipse 2.2

Ola is releasing Bioclipse 2.2.0 today, and asked me to show case the semantic web functionality in Bioclipse. I realized that I do not have a nice page showing the semantic web overview. But I did blog a lot about RDF functionality, so here’s a list of pointers: 1 minute read

Semantic Chemistry with the Resource Description Framework

First Call for Papers Semantic Chemistry with the Resource Description Framework 240th ACS National Meeting & Exposition Boston, Massachusetts, August 22-26, 2010 CINF Division 1 minute read

Extracting RDF from Chem4Word documents

Joe has released the first Chem4Word demo file, and has written about how to extract the CML with Java and with C#. less than 1 minute read

Installation HOWTO for CDK-Taverna 0.5.1.1 in Taverna 1.7.2

Thomas made a new release of CDK-Taverna for the Taverna 1.7.2 release, which is great news as the previous release was for Taverna 1.7.1. 2 minute read