ADMET Predictor® Tutorial Series: Transporter Models

Authors: Jamois E
Software: ADMET Predictor®
Division: Cheminformatics

Dive into the Transporters Module of ADMET Predictor® 12 to evaluate interactions with key proteins like P-gp, BCRP, and OATP. This video explains why modeling transporters is essential for understanding drug-drug interactions (DDIs) and regulatory compliance. The tutorial demonstrates how to calculate 24 different transporter properties, including substrate/inhibitor classifications and regression models for KM and IC50 values. Viewers will learn advanced data filtering techniques using the Query Wizard to identify high-confidence non-substrates, and how to use classification and regression models in tandem—specifically for the BSEP (Bile Salt Export Pump) and hERG models—to refine safety assessments.