Updates to R Packages

I’ve uploaded a new version of fingerprint (v 3.4) which now supports feature fingerprints – fingerprints that are represented as variable length vectors of numbers or strings. An example would be circular fingerprints. Now, when reading fingerprints you have to indicate whether you’re loading binary fingerprints or not (via the binary argument in fp.read). A […]

Call for Papers – ICCS, 2011

This has already been posted on some mailing lists, but one more place can’t hurt. The International Conference on Chemical Structures (ICCS)┬áis coming up in June, 2011 at Noordwijkerhout, The Netherlands. I’m on the scientific advisory board and am planning to attend this meeting, as the topics being covered look pretty interesting, especially those focusing […]