Correlating Continuous and Categorical Variables

At work, a colleague gave an interesting presentation on characterizing associations between continuous and categorical variables. I expect that I will be facing this issue in some upcoming work so was doing a little reading and made some notes for myself. Given a continuous variable Y and a categorical variable G, is the distribution of […]

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 […]