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Quantitative structure-Functional Ingredient Relationships (qFIRs): Development of a data-driven workflow for alternatives ingredient assessments for in silico molecular repurposing
Citation:
Goldsmith, M., D. Chang, A. Deschenes, K. Phillips, K. Isaacs, AND J. Wambaugh. Quantitative structure-Functional Ingredient Relationships (qFIRs): Development of a data-driven workflow for alternatives ingredient assessments for in silico molecular repurposing. American Chemical Society National Meeting, Boston, MA, August 16 - 20, 2015.
Impact/Purpose:
The National Exposure Research Laboratory (NERL) Human Exposure and Atmospheric Sciences Division (HEASD) conducts research in support of EPA mission to protect human health and the environment. HEASD research program supports Goal 1 (Clean Air) and Goal 4 (Healthy People) of EPA 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:
Quantitative structure-Functional Ingredient Relationships (qFIRs): Development of a data-driven workflow for alternatives ingredient assessments for in silico molecular repurposing
