Pattern recognition used to investigate multivariate data in analytical chemistry

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Science  06 Jun 1986:
Vol. 232, Issue 4755, pp. 1219-1224
DOI: 10.1126/science.3704647


Pattern recognition and allied multivariate methods provide an approach to the interpretation of the multivariate data often encountered in analytical chemistry. Widely used methods include mapping and display, discriminant development, clustering, and modeling. Each has been applied to a variety of chemical problems, and examples are given. The results of two recent studies are shown, a classification of subjects as normal or cystic fibrosis heterozygotes and simulation of chemical shifts of carbon-13 nuclear magnetic resonance spectra by linear model equations.