TY - JOUR
T1 - Chemometrics in analytical chemistry—part II
T2 - modeling, validation, and applications
AU - Brereton, Richard G.
AU - Jansen, Jeroen
AU - Lopes, João
AU - Marini, Federico
AU - Pomerantsev, Alexey
AU - Rodionova, Oxana
AU - Roger, Jean Michel
AU - Walczak, Beata
AU - Tauler, Romà
PY - 2018/10/1
Y1 - 2018/10/1
N2 - 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.
AB - 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.
KW - Calibration
KW - Discrimination
KW - Hyperspectral imaging
KW - Omics
KW - Prediction
KW - Validation
UR - http://www.scopus.com/inward/record.url?scp=85051671854&partnerID=8YFLogxK
U2 - 10.1007/s00216-018-1283-4
DO - 10.1007/s00216-018-1283-4
M3 - Article (Academic Journal)
C2 - 30073517
AN - SCOPUS:85051671854
SN - 1618-2642
VL - 410
SP - 6691
EP - 6704
JO - Analytical and Bioanalytical Chemistry
JF - Analytical and Bioanalytical Chemistry
IS - 26
ER -