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Interpretation of Infrared Spectra Using Pattern Recognition Techniques

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The pattern recognition technique utilizing adaptive binary pattern classifiers has been applied to the interpretation of infrared spectra. The binary pattern classifiers have been trained to determine the chemical classes of x-y digitized infrared spectra. High predictive abilities have been obtained in classifying unknown spectra. A new training procedure for binary pattern classifiers has been developed, and it has been used to classify ir spectra into chemical classes. Pattern classifiers trained in the conventional way and by the new procedure have been used in conjunction with feature selection, and it is shown that a small fraction of the data is necessary to classify these infrared spectra successfully into chemical classes.

Keywords: Computer applications; Infrared spectroscopy; Pattern recognition

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/000370273774333254

Affiliations: Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802

Publication date: September 1, 1973

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