The use of (Q)SARs models is increasing, and the predictions are becoming more acceptable to regulatory authorities. One such tool is DEREK Nexus. This is an expert knowledge based system that predicts whether a chemical is toxic to humans, other mammals and bacteria. The application is a high throughput screen for multiple endpoints. Software applies the rules to make a qualitative assessment of the toxicity potential of any given compound. DEREK Nexus is an increasing model of choice in the pharmaceutical, crop protection and chemicals industries for assessing impurities and metabolites. Use of the model can in some instances preclude studies in animals. The use of and acceptance of DEREK predictions by worldwide regulatory authorities will be discussed as well as limitations. Using DEREK Nexus to add value to the regulatory setting will be illustrated.

Applicability of (Q)SAR modelling for impurities/metabolite profiling of agrochemicals

248th National Meeting (2014)

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