IUPAC Project Number: 2008-002-1-500
IUPAC Standards Online
Analytical Chemistry > Metrology > Chemometrics
Cheminformatics > Data Mining
1School of Chemistry, UNSW Australia, Sydney, NSW 2052, Australia
This work was started under project 2008-002-1-500: A glossary of concepts and terms in chemometrics, with membership D Brynn Hibbert, Pentti Minkkinen and Barry Wise. Public input was via an open wiki that was active from 2010 to 2012 [D. B. Hibbert, P. Minkkinen, N. M. Faber, B. M. Wise. Anal. Chim. Acta642, 3 (2009)].
Cite as: David B. Hibbert. Vocabulary of Concepts and Terms in Chemometrics (IUPAC Recommendations 2016), Pure Appl. Chem. 88, 407 (2016). DOI: https://doi.org/10.1515/pac-2015-0605
- calibration; chemometrics; data analysis; design of experiments; experimental design; IUPAC Analytical Chemistry Division; multivariate analysis; pattern recognition; regression; terminology
- IUPAC Division:
- Analytical Chemistry Division
- Document Type:
Recommendations are given concerning the terminology relating to chemometrics. Building on ISO definitions of terms for basic concepts in statistics the vocabulary is concerned with mainstream chemometric methods. Where methods are used widely in science, definitions are given that are most useful to chemical applications. Vocabularies are given for general data processing, experimental design, classification, calibration and general multivariate methods.