GLRPPR Sector Resource: Quantitative Structure Activity Relationship and Toxicity Estimation Software Tool (TEST)
Quantitative Structure Activity Relationship and Toxicity Estimation Software Tool (TEST)
Quantitative Structure Activity Relationships (QSARs) are mathematical models that are used to predict measures of toxicity from physical characteristics of the structure of chemicals (known as molecular descriptors). Acute toxicities (such as the concentration that causes half of a fish population to die) are one example of the toxicity measures that may be predicted from QSARs. TEST will enable users to easily estimate acute toxicity using QSAR methodologies. The software is available for download from this website, which also provides a user's guide. The software is based on the Chemistry Development Kit, an open-source Java library for computational chemistry.
US Environmental Protection Agency (EPA)
Date of Publication:
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