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Generation of Alternative Assessment Scores using TEST and online data sources
Citation:
Martin, T. Generation of Alternative Assessment Scores using TEST and online data sources. 253rd A,merican Chemical Society National Meeting, San Francisco, CA, April 02 - 06, 2017.
Impact/Purpose:
The purpose of this talk is to outline the FY17 product of a web-services based version of T.E.S.T. The web version of T.E.S.T. will EPA tools such as CTS (Chemical Transformation Simulator). It will also form the basis of the alternatives assessment dashboard since it can estimate scored needed in the comparison of alternatives. The talk will will also focus on obtaining GHS (Global Harmonization Score) data from literature sources such as Japan's NITE.
Description:
Alternatives assessment frameworks such as DfE (Design for the Environment) evaluate chemical alternatives in terms of human health effects, ecotoxicity, and fate. T.E.S.T. (Toxicity Estimation Software Tool) can be utilized to evaluate human health in terms of acute oral rat toxicity, developmental toxicity, endocrine activity, and mutagenicity. It can be used to evaluate ecotoxicity (in terms of acute fathead minnow toxicity) and fate (in terms of bioconcentration factor). It also be used to estimate a variety of key physicochemical properties such as melting point, boiling point, vapor pressure, water solubility, and bioconcentration factor. A web-based version of T.E.S.T. is currently being developed to allow predictions to be made from other web tools. Online data sources such as from Japan’s National Institute of Technology (NITE) can also be utilized to obtain GHS (Global Harmonization System) scores for comparing alternatives. If data for a given chemical is unavailable, read across techniques can be used to provide estimates for GHS scores from sources such as NITE.