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Regular version of the site

Article

Fuzzy classification and fast rejection rules in the structure-property problem

Pattern Recognition and Image Analysis. 2013. Vol. 23. No. 1. P. 130-138.
Prokhorov E., Ponomareva L., Permyakov E., Kumskov M. I.

A new approach to analysis of the molecule–descriptor matrix in the structure–property problem,based on the fuzzy cluster structure of the training sample, is developed. Methods for constructing fast pre diction rejection rules and for the search the outliers in a training sample are described. To that end, a special space ofeasily computed descriptors is introduced. Optimization of the classifying function with respect to the param eters of fuzzy classification is considered. Prognostic models with a high quality of prediction, based on thisapproach, are proposed. Comparison of models is performed, which shows the efficiency of the describedmethods