Insights into pharmacokinetic properties for exposure chemicals: predictive modelling of human plasma fraction unbound (<i>f</i><sub>u</sub>) and hepatocyte intrinsic clearance (Cl<sub>int</sub>) data using machine learning
Souvik Pore, Kunal Roy
Abstract
We have developed regression-based models with the protein fraction unbound ( f u ) human data set and a classification-based model with the hepatocyte intrinsic clearance (Cl int ) human data set collected from the recently published ICE database.
Topics & Concepts
PharmacokineticsHepatocyteMetabolic clearance rateFraction (chemistry)ChemistryComputer sciencePharmacologyChromatographyMedicineIn vitroBiochemistryComputational Drug Discovery MethodsStatistical Methods in Clinical TrialsMetabolomics and Mass Spectrometry Studies