Centre for Environmental Modelling and Chemistry

The PBPK model is a Physiologically Based Pharmacokinetic Model which describes the disposition of specified environmental contaminants resulting from acute and chronic exposure regimes. The model is mechanistic in structure and requires physical-chemical partitioning and reactivity data, but experimental partitioning and absorption efficiency data can be used if available. It is designed to complement environmental fate models, thus linking chemical emission rates with environmental and physiological behaviour as part of the larger environmental risk assessment process. It treats a parent chemical and, if desired, two metabolites which may be formed reversibily or irreversibly. Tissue concentrations for the chemical and any metabolites can be simulated for acute, occupational and environmental exposure regimes.

The model is described in
Cahill, T., Cousins, I., Mackay D. 2003. Development and Application of a Generalized Physiologically Based Pharmacokinetic Model for Multiple Environmental Contaminants. Environ. Toxicol. Chem. 22: 26-34.

The model is parameterised for a male human and requires chemical properties including molar mass, Kow, Kaw and reaction rate paramters for the liver and intestine. It also requires information on the quantity of chemical and how the dose is administered. Full details are given in the above paper and in the Supplimentary Data Archive specified in the paper which is available through Allen Press.

This spreadsheet-based tool requires Microsoft Excel 2000.

Please read the PBPK LICENSE before downloading this spreadsheet tool. Use of the spreadsheet tool constitutes your agreement to abide by the terms and conditions set out in the license agreement.