Viewing Pathways

There are a variety of pathway databases such as KEGG, Reactome and Wikipathways. One of my projects involves pathway analysis, and it’d be nice to easily display them. In many cases, one can simply display a pre-generated image of the pathway (such as in KEGG), but in general, interactivity is nice. However, the latter would […]

From Theory to Practice

Some time back, John Van Drie and myself had done some work on characterizing structure-activity cliffs, which are molecules that have very similar structures but very different activities. The term originated from Maggiora, who suggested that this was a reason for the failure of many QSAR models. At the same time, such cliffs can represent […]

R and Oracle

It’s been a while since my last post, but I’m getting up to speed at work. It’s been less than a month, but there’s already a ton of cool stuff going on. One of the first things I’ve been getting to grips with is the data infrastructure at the NCGC, which is based around Oracle. […]