| Literature DB >> 30073517 |
Richard G Brereton1, Jeroen Jansen2, João Lopes3, Federico Marini4, Alexey Pomerantsev5, Oxana Rodionova5, Jean Michel Roger6, Beata Walczak7, Romà Tauler8.
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.Keywords: Calibration; Discrimination; Hyperspectral imaging; Omics; Prediction; Validation
Year: 2018 PMID: 30073517 DOI: 10.1007/s00216-018-1283-4
Source DB: PubMed Journal: Anal Bioanal Chem ISSN: 1618-2642 Impact factor: 4.142