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PLS response surface optimization: The CARSO procedure
Author(s) -
Clementi Sergio,
Cruciani Gabriele,
Curti Gianluca,
Skagerberg Bert
Publication year - 1989
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.1180030307
Subject(s) - transformation (genetics) , polynomial , yield (engineering) , matrix (chemical analysis) , response surface methodology , biological system , mathematics , computer science , domain (mathematical analysis) , algorithm , materials science , statistics , chemistry , chromatography , mathematical analysis , biochemistry , biology , metallurgy , gene
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.