Partial least squares-discriminant analysis (PLS-DA) for classification of high-dimensional (HD) data: a review of contemporary practice strategies and knowledge …

LC Lee, CY Liong, AA Jemain - Analyst, 2018 - pubs.rsc.org
Partial least squares-discriminant analysis (PLS-DA) is a versatile algorithm that can be
used for predictive and descriptive modelling as well as for discriminative variable selection …

Nutrimetabolomics: an integrative action for metabolomic analyses in human nutritional studies

MM Ulaszewska, CH Weinert… - Molecular nutrition & …, 2019 - Wiley Online Library
The life sciences are currently being transformed by an unprecedented wave of
developments in molecular analysis, which include important advances in instrumental …

Partial least squares discriminant analysis: taking the magic away

RG Brereton, GR Lloyd - Journal of Chemometrics, 2014 - Wiley Online Library
Partial least squares discriminant analysis (PLS‐DA) has been available for nearly 20 years
yet is poorly understood by most users. By simple examples, it is shown graphically and …

Recent advances in fast-scan cyclic voltammetry

P Puthongkham, BJ Venton - Analyst, 2020 - pubs.rsc.org
Fast-scan cyclic voltammetry (FSCV) at carbon-fiber microelectrodes (CFMEs) is a versatile
electrochemical technique to probe neurochemical dynamics in vivo. Progress in FSCV …

Support vector machines for classification and regression

RG Brereton, GR Lloyd - Analyst, 2010 - pubs.rsc.org
The increasing interest in Support Vector Machines (SVMs) over the past 15 years is
described. Methods are illustrated using simulated case studies, and 4 experimental case …

Fingerprinting food: current technologies for the detection of food adulteration and contamination

DI Ellis, VL Brewster, WB Dunn, JW Allwood… - Chemical Society …, 2012 - pubs.rsc.org
Major food adulteration and contamination events seem to occur with some regularity, such
as the widely publicised adulteration of milk products with melamine and the recent …

A practical approach to optical cross-reactive sensor arrays

P Anzenbacher Jr, P Lubal, P Buček… - Chemical Society …, 2010 - pubs.rsc.org
Supramolecular analytical chemistry has emerged as a new discipline at the interface of
supramolecular and analytical chemistry. It focuses on analytical applications of molecular …

Review of validation and reporting of non-targeted fingerprinting approaches for food authentication

J Riedl, S Esslinger, C Fauhl-Hassek - Analytica Chimica Acta, 2015 - Elsevier
Food fingerprinting approaches are expected to become a very potent tool in authentication
processes aiming at a comprehensive characterization of complex food matrices. By non …

Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools

RG Brereton, J Jansen, J Lopes, F Marini… - Analytical and …, 2017 - Springer
Chemometrics has achieved major recognition and progress in the analytical chemistry field.
In the first part of this tutorial, major achievements and contributions of chemometrics to …

A contemporary review on Data Preprocessing (DP) practice strategy in ATR-FTIR spectrum

LC Lee, CY Liong, AA Jemain - Chemometrics and Intelligent Laboratory …, 2017 - Elsevier
ATR-FTIR spectroscopy in the combination with chemometrics has been practiced over the
past decades. Works presented in numerous disciplines provide ample empirical evidence …