Dataset Information

Gonzalez2021 - QSAR Prediction Model for CYP2D6 Inhibitor and Substrate

ABSTRACT: Analysis of metabolic stability, determining the inhibition of CYP2D6 activity and whether the compounds are a substrate for the CYP2D6 enzyme. The data used to build these models has been publicly available at PubChem (AID1645840) by ADME@NCATS. Model Type: Predictive machine learning model. Model Relevance: Probability of inhibiting the CYP2D6 enzyme and probability of being a substrate of the enzyme 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/eos7nno

SUBMITTER: Zainab Ashimiyu-Abdusalam