Back from Boston

Another ACS National Meeting, this time in Boston, is over and I’m finally home. I gave two talks, one on issues surrounding the data deluge in modern drug discovery and another one on structure activity landscapes. There were a number of great sessions in CINF, COMP and MEDI, with some thought-provoking talks. I especially liked a talk given […]

SALI in Bulk

Sometime back John Van Drie and I had developed the Structure Activity Landscape Index (SALI), which is a way to quantify activity cliffs – pairs of compounds which are structurally very similar but have significantly different activities. In preparation for a talk on SALI at the Boston ACS, I was looking for SAR datasets that […]

Job Openings at the NCGC

I’ve been at the NCGC for a little more than a year and I can say that it’s a great place to work – smart people, cutting edge projects in chemical genomics and chemical biology, opportunities to be involved in all aspects of HTS projects and fresh data (lots of it). Now there’s opportunities for […]