Machine learning models in the prediction of drug metabolism: challenges and future perspectives
Eleni Litsa, Payel Das, Lydia E. Kavraki
Abstract
Metabolism can be the underlying cause of drug adverse effects and diminished efficacy. Metabolic reactions in the human body, mediated mainly by enzymes, may transform the administered drug into m...
Topics & Concepts
Drug metabolismComputational biologyDrugComputer scienceMachine learningMedicineBiologyPharmacologyComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesPharmacogenetics and Drug Metabolism