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Journal of Toxicology
Volume 2012 (2012), Article ID 286079, 22 pages
Research Article

Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans

Département de Santé Environnementale et Santé au Travail, Université de Montréal, C.P. 6128, Succursale Centre-Ville, Montréal, QC, Canada H3C 3J7

Received 31 October 2011; Revised 13 January 2012; Accepted 13 January 2012

Academic Editor: Jane C. Caldwell

Copyright © 2012 Thomas Peyret and Kannan Krishnan. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The code of the human PBPK model for inhaled VOCs is provided in this supplemental material. The model is written in advance continuous simulation language to be run in ACSL® (acslX®, version 2.5, Aegis Technologies Group, Inc, Huntsville, AL). The model parameters are defined in the “initial” section and the differential equations are written in the “dynamic” section. PBPK consisted in four tissue compartments (liver, fat, richly, and poorly perfused tissues) and a gas exchange lung interconnected by blood flows. Two descriptions of hepatic clearance are available: one using the intrinsic clearance (CLint) and the other the extraction ratio.

  1. Supplementary Material