Chemometrics tools used in analytical chemistry: An overview

• 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
• ISSN: 0039-9140; 1873-3573
• DOI: 10.1016/j.talanta.2014.02.003

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.