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TEST (Toxicity Estimation Software Tool) Ver 4.1
Citation:
Martin, T., P. Harten, AND D. Young. TEST (Toxicity Estimation Software Tool) Ver 4.1. U.S. Environmental Protection Agency, Washington, DC, EPA/600/C-12/006, 2012.
Impact/Purpose:
The purpose of the TEST software is to estimate toxicity values and physical properties for chemicals from their molecular structure. The estimated toxicity and physical property values can be used to provide data needed for improving the sustainability of chemical process designs (using algorithms such as the WAste Reduction Algorithm) or in the selection of greener solvents (for example the Paris III software).
Description:
The Toxicity Estimation Software Tool (T.E.S.T.) has been developed to allow users to easily estimate toxicity and physical properties using a variety of QSAR methodologies. T.E.S.T allows a user to estimate toxicity without requiring any external programs. Users can input a chemical to be evaluated by drawing it in an included chemical sketcher window, entering a structure text file, or importing it from an included database of structures. Once a chemical has been entered, its toxicity can be estimated using one of several advanced QSAR methodologies. The program does not require molecular descriptors from external software packages (the required descriptors are calculated within T.E.S.T.).