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The regression model is generated prior to runtime. Single-model method – Predictions are made using a multilinear regression model that is fit to the training set (using molecular descriptors as independent variables) using a genetic algorithm-based approach.

The models are generated prior to runtime.

A genetic algorithm-based technique is used to generate models for each cluster. The different models are obtained by using Ward’s method to divide the training set into a series of structurally similar clusters. Hierarchical method – The toxicity for a given query compound is estimated using the weighted average of the predictions from several different models.Several QSAR methodologies have been developed: The required molecular descriptors are calculated within TEST. Once entered, the toxicity is estimated using one of several advanced QSAR methodologies. Users input a chemical to evaluate by drawing it in an included chemical sketcher window, entering a structure text file, or importing it from an included database of structures. TEST allows a user to estimate toxicity without requiring any external programs.

Furthermore, the US EPA makes no claims concerning the accuracy of the data provided by TEST or its reliability for any purpose. EPA) makes no warranty, expressed or implied, as to the merchantability of TEST or its fitness for a particular purpose. The United States Environmental Protection Agency (U.S. TEST estimates the toxicity values and physical properties of organic chemicals based on the molecular structure of the organic chemical entered by the user.

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