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Nitroamine Evaluation Support Software "QSAR Flex"

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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