Combined Prediction: Phase I & Phase II
One of the most innovative features is the ability to predict phase I and phase II metabolism in a combined manner. This function predicts phase I metabolism (including both CYP and non-CYP enzymes) for the parent compound and then predicts phase II metabolism for both the parent compound and its phase I metabolites (as selected by the user). This allows for automatic prediction of all first and second-generation metabolites of a molecule, providing a comprehensive view of its potential metabolic pathway in the human body.