Published online in Bioinformatics in February 2015 Extending P450 Site-of-Metabolism Models with Region-Resolution Data Jed Zaretzki, Michael Browning, Tyler B. Hughes, S. Joshua Swamidass Motivation: Cytochrome P450s are a family of enzymes responsible for the metabolism of approximately 90% of FDA approved drugs. Medicinal chemists often want to know which atoms of a molecule— its … Continue reading XenoSite Regions →
This study uses an algorithm first developed in our group for modeling metabolism from ambiguous data. Often we know the region of a molecule that is metabolized, but not the specific atom. A clever trick using the EM algorithm lets us train a neural network, even without knowing the right targets. An analogous problem arises in cancer genomics. We … Continue reading Identifying Cancer Mutations With Parsimony →
computation at the intersection of medicine, biology and chemistry.