Analytical and Bioanalytical Chemistry

, Volume 409, Issue 25, pp 5891–5899 | Cite as

Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools

  • Richard G. Brereton
  • Jeroen Jansen
  • João Lopes
  • Federico Marini
  • Alexey Pomerantsev
  • Oxana Rodionova
  • Jean Michel Roger
  • Beata Walczak
  • Romà Tauler
Feature Article

Abstract

Chemometrics has achieved major recognition and progress in the analytical chemistry field. In the first part of this tutorial, major achievements and contributions of chemometrics to some of the more important stages of the analytical process, like experimental design, sampling, and data analysis (including data pretreatment and fusion), are summarised. The tutorial is intended to give a general updated overview of the chemometrics field to further contribute to its dissemination and promotion in analytical chemistry.

Keywords

Chemometrics Experimental design Sampling Data preprocessing Projection methods Data fusion 

Notes

Compliance with ethical standards

Competing interests

The authors declare that they have no competing interests.

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Copyright information

© Springer-Verlag GmbH Germany 2017

Authors and Affiliations

  • Richard G. Brereton
    • 1
  • Jeroen Jansen
    • 2
  • João Lopes
    • 3
  • Federico Marini
    • 4
  • Alexey Pomerantsev
    • 5
  • Oxana Rodionova
    • 5
  • Jean Michel Roger
    • 6
  • Beata Walczak
    • 7
  • Romà Tauler
    • 8
  1. 1.School of ChemistryUniversity of BristolBristolUK
  2. 2.Institute for Molecules and MaterialsRadboud UniversityNijmegenThe Netherlands
  3. 3.Research Institute for Medicines (iMed.ULisboa), Faculdade de FarmáciaUniversidade de LisboaLisbonPortugal
  4. 4.Department of ChemistryUniversity of Rome “La Sapienza”RomeItaly
  5. 5.Institute of Chemical Physics RASMoscowRussia
  6. 6.Irstea, UMR ITAPMontpellierFrance
  7. 7.Institute of ChemistryUniversity of Silesia KatowicePoland
  8. 8.IDAEA-CSICBarcelonaSpain

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