biostudies-otherUnknown49Zainab Ashimiyu-AbdusalamDrug metabolism and disposition: the biological fate of chemicals822-832Homo sapienshttps://www.ebi.ac.uk/biostudies/studies/MODEL2404160004biostudies-other34183376Zainab Ashimiyu-AbdusalamfalseGonzalez2021 - QSAR Prediction Model for CYP450 enzymes Inhibitor and Substrate<p>Analysis of metabolic stability, determining the inhibition of CYP450 activity and whether the compounds are a substrate for the CYP450 enzymes. The data used to build these models is publicly available at PubChem (AID1645840, AID1645841, AID1645842). The tested cyps include CYP2C9, CYP2D6 and CYP3A4.</p><p><normal>Model Type:</normal> Predictive machine learning model.<br><normal>Model Relevance:</normal> The model predicts a chemical compound as an inihibitor and substrate of the CYP450 enzymes.<br><normal>Model Encoded by:</normal> Zakia Yahya (Ersilia)<br><normal>Metadata Submitted in BioModels by:</normal> Zainab Ashimiyu-Abdusalam</p><p>Implementation of this model code by <a href="https://ersilia.io/">Ersilia</a> is available here: <br><a href="https://github.com/ersilia-os/eos44zp">https://github.com/ersilia-os/eos44zp</a></p><img src="https://www.ebi.ac.uk/biomodels/static-assets/images/ersilia-logo.png" alt="Ersilia Logo" width="150">2024-04-16T00:00:00Z2025-07-14T17:02:55.765Z2025-03-31T13:25:24.894ZMODEL2404160004STATO:0000233STATO:0000134STATO:0000415STATO:0000524STATO:0000549STATO:0000031001009500000090002305000306334183376NCIT:C21597NCIT:C191645NCIT:C111373NCIT:C24328NCIT:C26517C154407NCIT:C79371NCIT:C155915NCIT:C16484NCIT:C120266NCIT:C16309NCIT:C17429C45329NCIT:C19404topic_3336topic_3474CHEBI:50183CHEMINF:000018OBI_02000329606OMIT:0028701OMIT:0028710ncats-admeeos44zpdatahomeEFO:0004910