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Parameters for Pesticide QSAR and PBPK/PD Models to inform Human Risk Assessments
Citation:
Goldsmith, Rocky, J. Johnson, D. Chang, R. Tornero-Velez, J. Knaak, AND C. Dary. Parameters for Pesticide QSAR and PBPK/PD Models to inform Human Risk Assessments. Chapter 1, James B. Knaak, Charles Timchalk, Rogelio Tornero-Velez (ed.), Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment. American Chemical Society, Washington, DC, 1099:1-15, (2012).
Impact/Purpose:
The National Exposure Research Laboratory′s (NERL′s) Human Exposure and Atmospheric Sciences Division (HEASD) conducts research in support of EPA′s mission to protect human health and the environment. HEASD′s research program supports Goal 1 (Clean Air) and Goal 4 (Healthy People) of EPA′s strategic plan. More specifically, our division conducts research to characterize the movement of pollutants from the source to contact with humans. Our multidisciplinary research program produces Methods, Measurements, and Models to identify relationships between and characterize processes that link source emissions, environmental concentrations, human exposures, and target-tissue dose. The impact of these tools is improved regulatory programs and policies for EPA.
Description:
Physiologically-based pharmacokinetic and pharmacodynamic (PBPK/PD) modeling has emerged as an important computational approach supporting quantitative risk assessment of agrochemicals. However, before complete regulatory acceptance of this tool, an assessment of assets and liabilities is in order. Good modeling practices (GMP) serve to sort the assets from the liabilities under the conditions of model structure accuracy, precision, representativeness, completeness, comparability and reasonableness. PBPK/PD models may be seen as dynamic platforms to test these GMP strictures through the parameter calibration process. Inherent in this process, is the sorting and vetting of parameters from quantitative structure activity relationships (QSAR) to the gathering of "in vitro" and "in vivo" study data. “Good” parameters are assets that anchor the model as data is gleaned from the literature or experimentally produced. Faulty or suspect parameters are revealed and excised to strengthen the model structure to fit the intent, regulatory, exploratory or heuristic. It is from these considerations, that a symposium was formed to address parameter requirements for exposure/dose PBPK/PD modeling of agrochemicals. We offer this introduction as primer to more in depth discussion advanced within.
URLs/Downloads:
ACS Symposium Series
Parameters for Pesticide QSAR and PBPK/PD Models to inform Human Risk Assessments (PDF, NA pp, 3835 KB, about PDF)