Classifying Chemical Compounds Using Contrast and Common Patterns

Authors:
Andrzej Dominik;Zbigniew Walczak;Jacek Wojciechowski
Affiliations:
Warsaw University of Technology, Institute of Radioelectronics, Nowowiejska 15/19, 00-665 Warsaw, Poland;Warsaw University of Technology, Institute of Radioelectronics, Nowowiejska 15/19, 00-665 Warsaw, Poland;Warsaw University of Technology, Institute of Radioelectronics, Nowowiejska 15/19, 00-665 Warsaw, Poland
Venue:
ICANNGA '07 Proceedings of the 8th international conference on Adaptive and Natural Computing Algorithms, Part I
Year:
2007

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Abstract

The problem of classifying chemical compounds is studied in this paper. An approach based on minimal contrast and common topological patterns discovered from compounds dataset is presented. The algorithm is strongly associated with the classical emerging patterns techniques known from decision tables. We tested the proposed algorithm on real classification problems. Results show that it provides better classification accuracy than other existing algorithms. Another advantage of the introduced classifier is that it has a simple, understandable structure and can be easily extended by the expert knowledge.