Got back from the ACS meeting in Salt Lake City. As usual, quite a hectic week, more so this time since this was the first meeting in which I was Program Chair for CINF. With the exception of a few glitches, I think it went well – especially our first talk given via Skype! Met […]
Squeezing Journal Space?
An article by Steven Bachrach in the Journal of Cheminformatics has an excellent disscusion on Open Access journals. He notes that one of the problems with current scientific publishing is the plethora of journals. He also points out the huge amount of publications being generated. He succinctly states it as We simply publish way too […]
Change – Yes, I Did
I’ve been at IU for 3 years now, the last two as a visiting faculty member. However the time has come for a change. I have accepted a position at the NIH Chemical Genomics Center working in the informatics group and will start there in mid-May. I’m pretty excited about this move, as the group […]
CDK Development with Git
As announced on the cdk-devel mailing list, the project has shifted to Git as its version control system. While the SVN repository is still available, it’s expected that all development from now on will be done using Git branches. To get things going Egon has put up a very nice page on the CDK wiki. […]
Circular Fingerprints with the CDK and Clojure
One of the things I’m liking about Clojure is that it can be used as a quick prototyping language, a lot like Python. This is quite handy when playing with the CDK, as I can avoid a lot of the verbosity of Java code. As an example, I put together a very simplistic circular fingerprint […]