Category Archives: Blog

Combined Analysis of Phenotypic and Target-Based Screening in Assay Networks

Citation: Swamidass, S. J., Schillebeeckx, C. N., Matlock, M., Hurle, M. R., & Agarwal, P. (2014). Combined Analysis of Phenotypic and Target-Based Screening in Assay Networks. Journal of biomolecular screening, 1087057114523068. Abstract: Small-molecule screens are an integral part of drug discovery. Public domain data in PubChem alone represent more than 158 million measurements, 1.2 million molecules, and 4300 assays. … Continue Reading ››

Sharing Chemical Relationships Does Not Reveal Structures

Citation: Matlock, M., & Swamidass, S. J. (2013). Sharing Chemical Relationships Does Not Reveal Structures. Journal of chemical information and modeling, 54(1), 37-48. Abstract: In this study, we propose a new, secure method of sharing useful chemical information from small-molecule libraries, without revealing the structures of the libraries’ molecules. Our method shares the relationship between molecules rather … Continue Reading ››

XenoSite: Accurately Predicting CYP-mediated Sites of Metabolism with Neural Networks

Web Server: http://swami.wustl.edu/xenosite Citation: 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 ››

The Current Group

Postdoctoral Researchers

  • Jed Zaretzki
  • Wee Kiang (starting in February 2013)

Scientific Programmers

  • Michael Browning (Musician)
  • Matthew Matlock

Past Members

  • Brian Chen, PhD Student at Washington University (2011-2012, Programmer)
  • Brad Calhoun, Software Programmer at Garmin (2010-2012, Programmer)
  • Constantino Schillebeeckx, Photographer (2011-2012, Programmer)
  • CJ Carey, PhD Student at University … Continue Reading ››