Abstract
The CASE structure-activity relational method was used to predict the mutagenicity, cytogenotoxicity, carcinogenicity, sensory irritation, male rat-specific α2μ-nephrotoxicity and maximum tolerated dose of a population of molecules (N⩾1300). These chemicals were then sorted out by their predicted responses to specific tests and sub-populations of molecules with different prevalence with respect to described endpoints were constructed, i.e. 0–100% prevalences of mutagens, rodent carcinogens and SCE inducers. The predited properties of these populations were analyzed and the ovelap among tests was determined. The false-positive and false-negative predictions.
Published Version
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