Gonzalez2021 - QSAR Prediction Model for CYP3A4 Inhibitor and Substrate

Analysis of metabolic stability, determining the inhibition of CYP3A4 activity and whether the compounds are a substrate for the CYP3A4 enzyme. The data used to build these models has been publicly available at PubChem (AID1645841) by ADME@NCATS. Model Type: Predictive machine learning model. Model Relevance: The model predicts a chemical compound as an inihibitor and substrate of the CYP3A4 enzymes. Model Encoded by: Zakia Yahya (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos3ev6