The contribution of chemometrics to important stages throughout the entire analytical process such as experimental design, sampling, and explorative data analysis, including data pretreatment and fusion, was described in the first part of the tutorial “Chemometrics in analytical chemistry.” This is the second part of a tutorial article on chemometrics which is devoted to the supervised modeling of multivariate chemical data, i.e., to the building of calibration and discrimination models, their quantitative validation, and their successful applications in different scientific fields. This tutorial provides an overview of the popularity of chemometrics in analytical chemistry.

Chemometrics in analytical chemistry—part II: modeling, validation, and applications / Brereton, R. G.; Jansen, J.; Lopes, J.; Marini, F.; Pomerantsev, A.; Rodionova, O.; Roger, J. M.; Walczak, B.; Tauler, R.. - In: ANALYTICAL AND BIOANALYTICAL CHEMISTRY. - ISSN 1618-2642. - 410:26(2018), pp. 6691-6704. [10.1007/s00216-018-1283-4]

Chemometrics in analytical chemistry—part II: modeling, validation, and applications

Marini F.;
2018

Abstract

The contribution of chemometrics to important stages throughout the entire analytical process such as experimental design, sampling, and explorative data analysis, including data pretreatment and fusion, was described in the first part of the tutorial “Chemometrics in analytical chemistry.” This is the second part of a tutorial article on chemometrics which is devoted to the supervised modeling of multivariate chemical data, i.e., to the building of calibration and discrimination models, their quantitative validation, and their successful applications in different scientific fields. This tutorial provides an overview of the popularity of chemometrics in analytical chemistry.
2018
calibration; discrimination; hyperspectral imaging; omics; prediction; validation
01 Pubblicazione su rivista::01a Articolo in rivista
Chemometrics in analytical chemistry—part II: modeling, validation, and applications / Brereton, R. G.; Jansen, J.; Lopes, J.; Marini, F.; Pomerantsev, A.; Rodionova, O.; Roger, J. M.; Walczak, B.; Tauler, R.. - In: ANALYTICAL AND BIOANALYTICAL CHEMISTRY. - ISSN 1618-2642. - 410:26(2018), pp. 6691-6704. [10.1007/s00216-018-1283-4]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1281613
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