I recently published an article that posed a question to theologians, inspired by what I have seen in science. I am still hoping for a response. I am still curious about the theology. To be clear, this is not a forum for scientific debate, but an invitation to creatively and productively engage mainstream science with theology.
The … Continue Reading ››
This is a minor update to figure 10 in a recently published paper: Original Paper. The revised figure displays both the RMSE between each method and perfectly scaled prediction, and the R2 values for the Pearson correlation of the best-file line for that method. As measured by RMSE, the three methods have the same relative value as in … Continue Reading ››
Over the last several months we have published several papers. In the coming weeks, I will be posting abstracts and additional information for each of these papers. In the meantime, here are the citations of those that have hit print.
Managing missing measurements in small-molecule screens. Browning MR, Calhoun BT, Swamidass SJ. J Comput Aided Mol Des. 2013 … Continue Reading ››
This week (December 4-5, 2012), I am honored to chair and present at the World Drug Repositioning Conference in Washington DC. This conference brings together several key industry groups to share insight into how they are discovering new uses for drugs in their pipelines. The second day of the conference, I will be presenting on technology developed … Continue Reading ››
It is a pleasure to welcome our first postdoc to the Laboratory. Jed did his PhD under Curt Breneman, one of the leaders in Chemical Informatics, at the Rensselaer Exploratory Center for Cheminformatics Research, and his work was supported by Eli Lilly. His PhD focused on predicting how molecules are metabolized by P450 enzymes and culminated with the … Continue Reading ››