Average time on Site: chem-bla-ics

Cameron freeded(?) on the Spanish and Dutch sticking around longest on his site. I’ve never used Google Analytics for that, but it’s good time spent on procrastination: it makes nice graphics:

less than 1 minute read

UU Cheminformatics Journal Club

Following the steps of the IU Cheminformatics Journal Club, I have started a UU Cheminformatics Journal Club:

1 minute read

CDK 1.3.2: the changes

I promise I will write up more useful changelogs, and will actually try to do so in the excellent way Bob Hanson has been doing for Jmol: by example. For now, the following will have to do. These are the changes after release 1.3.1, which include all the changes in release 1.2.5:

6 minute read

Google Translation in Gmail in action

 

less than 1 minute read

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