Partial least squares regression with Curds and Whey

被引:10
作者
Xu, QS
de Jong, S
Lewi, P
Massart, DL
机构
[1] Free Univ Brussels, Inst Pharmaceut, FABI, ChemoAC, B-1090 Brussels, Belgium
[2] Unilever Res Labs Vlaardingen, NL-3130 AC Vlaardingen, Netherlands
[3] Janssen Pharmaceut NV, CMD, B-2350 Vosselaar, Belgium
关键词
PLS; correlated responses; canonical analysis; Curds and Whey;
D O I
10.1016/j.chemolab.2003.11.008
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
In order to make use of information between correlated responses in calibration, a new PLS method called PLS with Curds and Whey (PLS-C&W) is introduced. It combines PLS regression with a canonical analysis between the PLS estimates and the responses. The estimates are suitably shrunk in the canonical co-ordinate system using generalized cross-validation(GCV). The results obtained from five data sets show that PLS-C&W methods yield calibration models of high prediction ability. (C) 2004 Elsevier BY All rights reserved.
引用
收藏
页码:21 / 31
页数:11
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