Principal component analysis

R Bro, AK Smilde - Analytical methods, 2014 - pubs.rsc.org
Principal component analysis is one of the most important and powerful methods in
chemometrics as well as in a wealth of other areas. This paper provides a description of how …

Fluorescence spectroscopy and multi-way techniques. PARAFAC

KR Murphy, CA Stedmon, D Graeber, R Bro - Analytical methods, 2013 - pubs.rsc.org
PARAllel FACtor analysis (PARAFAC) is increasingly used to decompose fluorescence
excitation emission matrices (EEMs) into their underlying chemical components. In the ideal …

[HTML][HTML] The future of pharmaceutical manufacturing sciences

J Rantanen, J Khinast - Journal of pharmaceutical sciences, 2015 - Elsevier
The entire pharmaceutical sector is in an urgent need of both innovative technological
solutions and fundamental scientific work, enabling the production of highly engineered …

Breaking with trends in pre-processing?

J Engel, J Gerretzen, E Szymańska, JJ Jansen… - TrAC Trends in …, 2013 - Elsevier
Data pre-processing is an essential part of chemometric data analysis, which aims to
remove unwanted variation (such as instrumental artifacts) and thereby focusing on the …

Tensor decompositions and applications

TG Kolda, BW Bader - SIAM review, 2009 - SIAM
This survey provides an overview of higher-order tensor decompositions, their applications,
and available software. A tensor is a multidimensional or N-way array. Decompositions of …

Centering, scaling, and transformations: improving the biological information content of metabolomics data

RA Van den Berg, HCJ Hoefsloot, JA Westerhuis… - BMC genomics, 2006 - Springer
Background Extracting relevant biological information from large data sets is a major
challenge in functional genomics research. Different aspects of the data hamper their …

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 …

[图书][B] Multi-way analysis: applications in the chemical sciences

AK Smilde, R Bro, P Geladi - 2005 - books.google.com
This book is an introduction to the field of multi-way analysis for chemists and
chemometricians. Its emphasis is on the ideas behind the method and its pratical …

Large-scale human metabolomics studies: a strategy for data (pre-) processing and validation

S Bijlsma, I Bobeldijk, ER Verheij, R Ramaker… - Analytical …, 2006 - ACS Publications
A large metabolomics study was performed on 600 plasma samples taken at four time points
before and after a single intake of a high fat test meal by obese and lean subjects. All …

Beyond subjective and objective in statistics

A Gelman, C Hennig - Journal of the Royal Statistical Society …, 2017 - academic.oup.com
Decisions in statistical data analysis are often justified, criticized or avoided by using
concepts of objectivity and subjectivity. We argue that the words 'objective'and 'subjective'in …