An optimization-based model discrimination framework for selecting an appropriate reaction kinetic model structure during early phase pharmaceutical process development
Maitraye Sen, Alonso J. Argüelles, Stephen D. Stamatis, Salvador García‐Muñoz, Stanley P. Kolis
Abstract
A model discrimination workflow to develop fit for purpose kinetic models of new pharmaceutical compounds in early stages of drug development involving complex reaction networks with limited prior information and provision to run new experiments.
Topics & Concepts
WorkflowProcess (computing)Computer sciencePhase (matter)Drug developmentBiochemical engineeringProcess developmentProcess optimizationBiological systemChemistryProcess engineeringDrugEngineeringPharmacologyMedicineChemical engineeringBiologyDatabaseOrganic chemistryOperating systemComputational Drug Discovery MethodsProcess Optimization and IntegrationChemistry and Chemical Engineering