Development and validation of predictive permeability and partitioning models for organic contaminants within physiologically-based toxicokinetic models

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Environmental contaminant exposure is an escalating concern and assessing the human risks associated with such exposure continues to be an inexact science. Risks are largely based upon the extrapolation of exposure and effect in animals to those in human. The use of modeling and simulation has been used as an aid for understanding the relationship between chemical exposure, from food or air, and response. By building virtual organisms in computers to represent both laboratory animals and humans, the movement of the contaminant in the human body can be modeled based on experimental tests in animals. Because we cannot ethically expose humans to contaminants, this represents the best means at predicting human exposure. These virtual organisms must accurately represent the true form and this proposal aims to ensure that the movement of chemical from external exposure to internal or organ exposure is well represented. Since response is based on organ concentrations of the chemical, understanding this process is imperative. This will allow predictions of how the external exposure relates to organ exposure across different species.