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Chemical absorption in the layers of human skin
Citation:
Stevens, J., A. Prockter, H. Fisher, H. Tran, AND M. Evans. Chemical absorption in the layers of human skin. Women in Scientific Computing, Gainesville, FL, October 25, 2022. https://doi.org/10.23645/epacomptox.21395229
Impact/Purpose:
The dermal route of exposure is an important and complex route which includes a wide range of chemicals, such as pharmaceuticals and consumer products. Dermal absorption data for this large number of chemicals is not available. Generic models developed to predict dermal absorption for chemicals has become a preferred choice. In particular, a generic dermal exposure route would be most useful when integrated with the High Throughput Toxicokinetic (httk) model that is being developed within our Center. Model evaluation is an important step needed to increase confidence in our effort. This work produces a collection of dermal absorption data in combination with molecular descriptors and parameters from the CompTox Dashboard.
Description:
Whether from environmental and occupational hazards or topical pharmaceuticals, the human skin comes into contact with various chemicals every day. In vivo experiments not only require large investments of both time and money but also are ethically infeasible due to the potential exposure to toxic chemicals. Comparatively, in vitro experiments offer ethical and financial advantages when combined with prioritization. Due to this, many scientists have chosen to make their in vitro data available publicly. Using publicly available data, we have created a detailed database that can be used in connection with mathematical modeling to predict diffusion, permeability, and partition coefficients. With this database, we present preliminary findings from machine learning techniques that can be drawn upon for future model building and better prediction of chemical absorption in human skin.
URLs/Downloads:
DOI: Chemical absorption in the layers of human skin
UFPOSTER-STEVENS2.PDF (PDF, NA pp, 1080.432 KB, about PDF)