In Silico-In Vitro Extrapolation for Dermal Exposure

Authors: Spires J
Conference: SOT
Software: GastroPlus®
Division: Simulations Plus


  • Prediction of in vitro dermal delivery and drug in
    receptor fluid should be done using:

    • Nielsen model for vehicle evaporation
    • Wang-Kasting-Nitsche fully hydrated model for
      stratum corneum permeability
    • Kretsos model for viable epidermis and dermis
  •  Compound evaporation should be measured or
    predicted according to the Henry’s Law constant
  • Predictions of ethanol vehicle are poor, but can
    be improved by scaling the vehicle/water
    partition coefficient according to the ratio
    between ethanol and water solubilities

Society of Toxicology 57th Annual Meeting and ToxExpo, March 11-15, 2018, San Antonio, Texas

By Jessica Spires