Chemometrics class-modeling techniques

Derde MP, Kaufman L, Massart DL. A non-parametric class-modelling technique. J Chemometr 1989 3 375. 

In a related paper Herrador and Gonzalez [144] described the application of PCA and CA and of two supervised techniques, LDA and back-propagated ANN on Al, Ba, Ca, Cu, K, Mg, Mn, and Zn data obtained from commercial Spanish tea samples. A minitorch ICP-AES instrument was used for the determinations. The characterization of three classes of tea was achieved. In a paper that expands previous research described in reference [47], trace metal concentrations measured by ICP-AES and ICP-MS were employed by Moreda-Pineiro et al. [145] for a more elaborated chemometric treatment on 85 samples of tea of Asian, African, commercial, and unknown origin. Seventeen elements (Al, Ba, Ca, Cd, Co, Cr, Cu, Cs, Mg, Mn, Ni, Pb, Rb, Sr, Ti, V, and Zn) were determined. In addition to the techniques employed in the already mentioned papers (PCA, CA, LDA), soft independent modeling (SIM) of class analogy was also applied. The latter method resulted in the totally correct (100 percent) classification of Chinese teas. 

Acoustic emission power spectra are similar in many respects to optical spectra and are amenable to chemometric processing (multivariate analysis). Principal component analysis, partial least squares (PLS), neural networks, and qualitative techniques such as SIMCA (soft independent modeling of class analogy a pattern recognition technique) have been employed... 

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