Incorporating Bayesian models into the Approved Drugs app

bayes_apprdrugs1Some interesting experimental features are on their way to the Approved Drugs app, which has been in the crosshairs for expanded functionality recently. The latest round of improvements involves the ability to collect custom-drawn structures, and apply Bayesian models for predicting the presence of “bad drug” properties, both for molecules overall, and for individual atoms. Continue reading


2014 redux

The year of 2014 is almost over, so it’s time to write the summary. The year started by taking a few unexpected turns that I could not have predicted, but things turned out well, and a lot got done. Continue reading