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KMID : 1156220130390020130
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Journal of Environmental Health Sciences
2013 Volume.39 No. 2 p.130 ~ p.137
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Prediction of Human Health and Ecotoxicity of Chemical Substances Using the OECD QSAR Application Toolbox
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Kim Jung-Kon
Seo Jung-Kwan
Kim Tak-Soo
Kim Hyun-Kyung
Park Sang-Hee
Kim Pil-Je
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Abstract
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Objectives: The OECD QSAR Application Toolbox was developed by the Organisation for Economic Cooperation and Development (OECD) to facilitate the practical use of QSAR approaches in regulatory contexts as well as to reduce the need for additional animal testing. In this study, human health and the ecotoxicity of chemicals were predicted by applying the OECD QSAR Application Toolbox and the results were compared with experimental data in order to evaluate the applicability of this program.
Methods: Read-across, trend analysis, and QSAR of OECD QSAR Application Toolbox were used for the prediction of toxicity.
Results: The toxicity prediction was conducted on 6,354 chemicals for which toxicity data have been produced on the six endpoints of skin sensitization, skin irritation, eye irritation, mutagenicity, and acute toxicities of fish and Daphnia. From the total of 6,354, we obtained prediction results for 1,621 chemicals (25.5%).
Conclusions: The predicted properties of mutagenicity, skin sensitization, and acute aquatic toxicities were reasonably good when compared with experimental data, but other endpoints were not due to the limitation of applicable chemical groups.
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KEYWORD
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categolisation, non-testing methods, OECD QSAR application toolbox, REACH, read-across
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