Predictive performance of physiologically based kinetic (PBK) models based on in silic o/ in vitro to in vivo extrapolation (IS/IVIVE)

Authors: Kalra P, Zhou H, Lawless M
Conference: EuroTox
Keywords: admet predictor, gastroplus, in silico in vitro–in vivo extrapolation (IVIVE), machine learning (ML), PBPK modeling
Software: ADMET Predictor®, GastroPlus®
Division: Simulations Plus

Purpose

  • The applicability of PBK modelling in next generation risk assessment ( hinges on accurate prediction of human plasma concentrations without reliance on animal in vivo kinetics data.
  • IS/IVIVE approach illuminates the influence of various input strategies on PBK model prediction accuracy
  • Use the approach to estimate daily dose fold errors of these chemicals in humans

By Priyata Kalra, Haiying Zhou, Michael Lawless

57th Congress of the European Societies of Toxicology, September 10 – 13, 2023, Ljubljana, Slovenia.