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Derivation of substructures from infrared band shapes by fuzzy logic and partial cross correlation functions (1997)

Ehrentreich, F.

Springer

Fresenius' journal of analytical chemistry 359 (1997), S. 56-60

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ISSN: 1432-1130

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract For the analysis of infrared spectroscopic bands and complex patterns partial cross correlation functions of a sample spectrum with reference spectra are calculated. The chosen ranges of the spectra are based on empirical knowledge of infrared spectrum structure correlations. The normalised maxima of the partial cross correlation functions are interpreted as fuzzy truth values and are combined by fuzzy logical operators. By application of that procedure larger common substructures will be derived from the reference spectra than by a maximum common substructure search based on the complete spectra.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/s002160050535

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