An immunogenetic approach in chemical spectrum recognition

Authors:
Yuehua Cao;Dipankar Dasgupta
Affiliations:
Departments of Chemistry and Mathematical Sciences, The University of Memphis, Memphis, TN;Department of Mathematical Sciences, The University of Memphis, Memphis, TN
Venue:
Advances in evolutionary computing
Year:
2003

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Abstract

This chapter describes an immunogenetic approach to recognize spectra for chemical analysis. In particular, an immunological model for chemical reactions is described in which a population of specialists for each of the possible products is evolved using a genetic algorithm. Accordingly, a small well-trained specialist library is established for testing their pattern recognition ability. The model was experimented with several real-world datasets to identify components in chemical spectra (such as IR spectra and Raman spectra). Experimental results exhibit the performance of the approach in finding correct products that correspond to an input spectrum, specifically, for a composite spectrum in which there are multiple products physically mixed. It would be very difficult to interpret otherwise.