Method for the prognosis of inhibitor or toxicological carcinogenic action of organic nitrogen compounds

摘要

The invention relates to a method for the prognosis of inhibitor or toxicological carcinogenic action of organic nitrogen compounds, especially aryl amines before the start of chemical synthesis. This prognosis is carried out using a base data set of structures hitherto experimentally evaluated as safe in regard to their action with the use of various pattern-recognition methods such as, for example, fuzzy clustering, primary-component analysis or the use of neuronal networks. In this case, simulation results are accepted only if the same classification results are obtained for the pattern recognition using different characteristic sets and different mathematical models.