2nd 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 […]

Similarity Matrices in Parallel

Today I got an email asking whether it’d be possible to speed up a fingerprint similarity matrix calculation in R. Now, pairwise similarity matrix calculations (whether they’re for molecules or sequences or anything else) are by definition quadratic in nature. So performing these calculations for large collections aren’t always feasible – in many cases, it’s […]