At this time (March 2017), we are looking for graduate students, postdoctoral fellows, and staff scientists to work on machine learning projects in medicine, chemistry and biology. We are looking to train scientific leaders, capable of innovative computational research. Our group is working in close collaboration with leading clinicians and scientists on biomedical imaging, drug toxicity modeling … Continue Reading ››
A Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes Dang, N. L., Hughes, T. B., Miller, G. P., and Swamidass, S. J. (2017). Chemical Research in Toxicology, DOI: 10.1021/acs.chemrestox.6b00336 Abstract: Structural alerts are commonly used in drug discovery to identify molecules likely to form reactive metabolites, and … Continue Reading ››
Deep Learning to Predict the Formation of Quinone Species in Drug MetabolismHughes, T. B. and Swamidass, S. J. (2017). Chemical Research in Toxicology, 30(2), 642–656. Abstract: Many adverse drug reactions are thought to be caused by electrophilically reactive drug metabolites that conjugate to nucleophilic sites within DNA and proteins,causing cancer … Continue Reading ››
Dr Greg Bowman and I invite you to the Center for Systems Biology and Engineering seminar series for 2016-2017. The title of this series is “Mathematically Modeling Biological Systems”. We hope for robust discussion, including critical feedback and scientific scrutiny of the presented work. This series is structured as a true seminar - not a colloquia … Continue Reading ››
Dr. Grover P. Miller Ph.D. and Dr. S. Joshua Swamidass M.D. Ph.D. are pleased to announce that our grant “Computationally Modeling the Impact of Ontogeny on Drug Metabolic Fate” was funded by the National Library of Medicine (NLM) of the NIH after receiving an outstanding impact score of 20 (6th percentile) by the independent study section. This … Continue Reading ››
As the summer 2016 comes to a close, I want to acknowledge the outstanding contributions of this summers guest researchers.
- Naomi Wilson (left) is an undergrad student from SUNY Geneseo. She spent the summer working curating metabolism kinetic data and building neural networks to model them. This work will be part of an upcoming publication. … Continue Reading ››