PLS response surface optimization: The CARSO procedure

PLS response surface optimization: The CARSO procedure

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...

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Veröffentlicht in:Journal of chemometrics 1989-06, Vol.3 (3), p.499-509
Hauptverfasser: Clementi, Sergio, Cruciani, Gabriele, Curti, Gianluca, Skagerberg, Bert
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Exact sciences and technology
Optimization
Organic chemistry
PLS
Response surface
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Beschreibung
Zusammenfassung: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.
ISSN:0886-9383
1099-128X
DOI:10.1002/cem.1180030307