How can I make the most of my predictive models for drug discovery?
What’s the purpose of a predictive model? What’s the value of predictive models for drug discovery? Most of the undergraduate…
Quantitative prediction of metabolic rate for diverse chemistry is currently intractable based on structure alone.
Local models of metabolic rate are possible and can be built successfully using the Auto-Modeller module in StarDrop for a specific chemical series or project.
More metabolism resources
Predicting reactivity to drug metabolism: beyond P450s – modelling FMOs and UGTs
Methods for modelling two enzyme families, flavin-containing monoxygenases (FMOs) and uridine 5′-diphospho-glucuronosyltransferases (UGTs), to predict reactivity to drug metabolism.
Overcoming challenges in drug metabolism: in silico approaches
Interpreting metabolite-ID experiments; determining the right species for animal studies; providing optimisation suggestions for your medicinal chemistry colleagues to overcome…
