Web Server:https://swami.wustl.edu/xenositeCitation:
Zaretzki, J., Matlock, M., & Swamidass, S. J. (2013). XenoSite: Accurately predicting CYP-mediated sites of metabolism with neural networks. Journal of chemical information and modeling, 53(12), 3373-3383..
Abstract:
Understanding how xenobiotic molecules are metabolized is important because it influences the safety, efficacy, and dose of medicines and how they can be modified to improve these … 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.
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 ››
An article of ours just hit the web at the Journal of Bimolecular Screening.
Automatically Detecting Workflows in PubChem [pdf][site]
Bradley T. Calhoun, Michael R. Browning, Brian R. Chen, Joshua A. Bittker, and S. Joshua Swamidass
Public databases that store the data from small-molecule screens … Continue Reading ››
In an interdisciplinary team at Washington University, we are proposing ways to improve the FDA approval process. Our first editorial was recently published.
Michele Boldrin and S. J. Swamidass. A new bargain for drug approvals. Wall Street Journal, July 2011.
In the September 2010 issue of Science this article was cited in the lead editorial, Rethinking … Continue Reading ››
We are now actively recruiting PhD-level graduate students. We have two slots to fill in our lab, and would love to have any interested students rotate for a couple months.
computation at the intersection of medicine, biology and chemistry.
