What can we predict from chemical structure?
Updated! models from the latest ADMET Predictor® version 10.3.
NEW! Prediction of Km/Vmax for metabolism by cytochrome P450 enzymes (CYPs), including isoforms 1A2, 2C9, 2C19, 2D6, and 3A4.
NEW! Classification models to predict whether imported compounds are inhibitors or substrates for OATP1B3, OCT1, OCT2, OAT3, BSEP, and BCRP; as well as previous Pgp and OATP1B1 models.
Improved! IVIVE settings for easy conversion to intestinal cell monolayers or hepatocytes.
Allow membrane model to be specified upon structure import.
Km values for OATP1B1, OATP1B3, OCT1, OCT2, OAT1, and OAT3.