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PLS response surface optimization: The CARSO procedure (1989)

Clementi, Sergio ; Cruciani, Gabriele ; Curti, Gianluca ; [et al.]

New York, NY : Wiley-Blackwell

Journal of Chemometrics 3 (1989), S. 499-509

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ISSN: 0886-9383

Keywords: Optimization ; Response surface ; PLS ; Chemistry ; Analytical Chemistry and Spectroscopy

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The paper presents a procedure to obtain response surfaces with non-designed data. The method is based on PLS modelling of the expanded X-matrix followed by transformation of the PLS loadings into polynomial coefficients and detection of the co-ordinates of the best response within the experimental domain. The results are presented both graphically and numerically. The procedure is validated on an optimization study of the yield of an organic reaction.

Additional Material: 4 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cem.1180030307

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