It is possible to evaluate the acceptable intake levels of nitroamines and predict nitrosation.
QSAR Flex enables the prediction of complex toxicity using quantitative structure-activity relationships (QSAR) and read-across methods. In particular, the following models can be utilized to support the carcinogenicity assessment of nitrosamines: - Support for AI value evaluation based on CPCA - Support for AI value estimation through read-across - Prediction of nitrosamine generation from compounds and synthetic pathways Various methods for evaluating nitrosamines can be conducted solely with QSAR Flex.
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