{"database":"biostudies-other","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["49"],"submitter":["Zainab Ashimiyu-Abdusalam"],"journal":["Drug metabolism and disposition: the biological fate of chemicals"],"pagination":["822-832"],"species":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/MODEL2404160004"],"repository":["biostudies-other"],"additional_accession":["34183376"],"pubmed_authors":["Zainab Ashimiyu-Abdusalam"]},"is_claimable":false,"name":"Gonzalez2021 - QSAR Prediction Model for CYP450 enzymes Inhibitor and Substrate","description":"<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\">","dates":{"release":"2024-04-16T00:00:00Z","modification":"2025-07-14T17:02:55.765Z","creation":"2025-03-31T13:25:24.894Z"},"accession":"MODEL2404160004","cross_references":{"stato":["STATO:0000233","STATO:0000134","STATO:0000415","STATO:0000524","STATO:0000549","STATO:0000031"],"bao":["0010095","0000009","0002305","0003063"],"pubmed":["34183376"],"ncit":["NCIT:C21597","NCIT:C191645","NCIT:C111373","NCIT:C24328","NCIT:C26517","C154407","NCIT:C79371","NCIT:C155915","NCIT:C16484","NCIT:C120266","NCIT:C16309","NCIT:C17429","C45329","NCIT:C19404"],"edam":["topic_3336","topic_3474"],"chebi":["CHEBI:50183"],"cheminf":["CHEMINF:000018"],"obi":["OBI_0200032"],"taxonomy":["9606"],"omit":["OMIT:0028701","OMIT:0028710"],"unknown":["ncats-adme","eos44zp","data","home"],"efo":["EFO:0004910"]}}