Chemometrics tools used in analytical chemistry: An overview

This article presents various important tools of chemometrics utilized as data evaluation tools generated by various hyphenated analytical techniques including their application since its advent to today. The work has been divided into various sections, which include various multivariate regression...

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Bibliographic Details
Published in:Talanta (Oxford) 2014-06, Vol.123, p.186-199
Main Authors: Kumar, Naveen, Bansal, Ankit, Sarma, G.S., Rawal, Ravindra K.
Format: Article
Language:English
Subjects:
Algorithms
Analytical chemistry
Chemometrics
Classification
Estimates
Evolving factor analysis
Mathematical analysis
Multivariate calibration
Principal component
Rank annihilation
Regression
Singular value decomposition
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Summary:This article presents various important tools of chemometrics utilized as data evaluation tools generated by various hyphenated analytical techniques including their application since its advent to today. The work has been divided into various sections, which include various multivariate regression methods and multivariate resolution methods. Finally the last section deals with the applicability of chemometric tools in analytical chemistry. The main objective of this article is to review the chemometric methods used in analytical chemistry (qualitative/quantitative), to determine the elution sequence, classify various data sets, assess peak purity and estimate the number of chemical components. These reviewed methods further can be used for treating n-way data obtained by hyphenation of LC with multi-channel detectors. We prefer to provide a detailed view of various important methods developed with their algorithm in favor of employing and understanding them by researchers not very familiar with chemometrics. [Display omitted] •Important tools of chemometrics.•Chemometric methods consecrated to qualitative and quantitative analysis.•Hyphenation with chromatography offers a powerful analytical tool.•Chemometrics is useful in polyherbal formulations.
ISSN:0039-9140
1873-3573
DOI:10.1016/j.talanta.2014.02.003