Partial least squares as a target-directed structure-seeking technique

William S. Rayens, Anders H. Andersen

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


Partial least square (PLS) has enjoyed considerable success in a variety of applications. One of the reasons it is so popular is that it can be applied in many different ways, with a host of different endpoints of interest for the analysis. In chemometrics, the focus has traditionally been on calibration or regression. There has been very little discussion about how to use PLS as a target-directed structure-seeking technique in kinetic studies. It turns out that this is a very natural use of PLS, one that emerges as preferable to the standard approach that employs a least-squares fit of selected component directions to the kinetic target. In this paper, we explore this comparison within the context of brain mapping studies employing functional magnetic resonance imaging (fMRI).

Original languageEnglish
Pages (from-to)121-127
Number of pages7
JournalChemometrics and Intelligent Laboratory Systems
Issue number2
StatePublished - May 28 2004

Bibliographical note

Funding Information:
During the preparation of this manuscript, AHA was supported by USPHS National Institute of Health grants NS35080 and AG12494.


  • Kinetics
  • Magnetic resonance imaging
  • Principal components
  • Rotations
  • fMRI

ASJC Scopus subject areas

  • Software
  • Analytical Chemistry
  • Process Chemistry and Technology
  • Spectroscopy
  • Computer Science Applications


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