A Robust Machine Learning Framework Built Upon Molecular Representations Predicts CYP450 Inhibition: Toward Precision in Drug Repurposing

Human cytochrome P450 (CYP450) enzymes play a crucial role in drug metabolism and pharmacokinetics. CYP450 inhibition can lead to toxicity, in particular when drugs are co-administered with other drugs and xenobiotics or in the case of polypharmacy. Predicting CYP450 inhibition is also important for...

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Detalles Bibliográficos
Autores principales: Ouzounis, Sotiris, Panagiotopoulos, Vasilis, Bafiti, Vivi, Zoumpoulakis, Panagiotis, Cavouras, Dionisis, Kalatzis, Ioannis, Matsoukas, Minos-Timotheos, Katsila, Theodora
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Mary Ann Liebert, Inc., publishers 2023
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10357106/
https://www.ncbi.nlm.nih.gov/pubmed/37406257
http://dx.doi.org/10.1089/omi.2023.0075

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