Volume 8, Issue 1 supplement

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Volume 8, Issue 1 supplement

June 2012

Special Issue: Data Analysis Methods for Metabolomics

Issue Editors:

Jeroen J. Jansen,
Johan A. Westerhuis

17 articles in this issue

Editorial–data analysis in metabolomics
Jeroen J. Jansen
Johan A. Westerhuis
Editorial Open access 24 March 2012 Pages: 1 - 2
Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies
Ewa Szymańska
Edoardo Saccenti
Johan A. Westerhuis
Original Article Open access 08 July 2011 Pages: 3 - 16
Concurrent class analysis identifies discriminatory variables from metabolomics data on isovaleric acidemia
Gerhard Koekemoer
Marli Dercksen
Carolus J. Reinecke
Original Article 07 July 2011 Pages: 17 - 28
Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets
Andris Jankevics
Maria Elena Merlo
Rainer Breitling
Original Article Open access 31 July 2011 Pages: 29 - 36
Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors
Yun Xu
Royston Goodacre
Original Article 11 September 2011 Pages: 37 - 51
Data handling for interactive metabolomics: tools for studying the dynamics of metabolome-macromolecule interactions
Clare A. Daykin
Rasmus Bro
Florian Wulfert
Original Article 11 September 2011 Pages: 52 - 63
Chemometric variance analysis of ¹H NMR metabolomics data on the effects of oral rinse on saliva
Agnieszka Lemanska
Martin Grootveld
Richard G. Brereton
Original Article 03 September 2011 Pages: 64 - 80
COVAIN: a toolbox for uni- and multivariate statistics, time-series and correlation network analysis and inverse estimation of the differential Jacobian from metabolomics covariance data
Xiaoliang Sun
Wolfram Weckwerth
Original Article 12 February 2012 Pages: 81 - 93
Individual differences in metabolomics: individualised responses and between-metabolite relationships
Jeroen J. Jansen
Ewa Szymańska
Age K. Smilde
Original Article Open access 15 March 2012 Pages: 94 - 104
MET-IDEA version 2.06; improved efficiency and additional functions for mass spectrometry-based metabolomics data processing
Zhentian Lei
Haiquan Li
Lloyd W. Sumner
Software Article 12 February 2012 Pages: 105 - 110
Fluorescence spectroscopy as a potential metabonomic tool for early detection of colorectal cancer
Anders Juul Lawaetz
Rasmus Bro
Hans J. Nielsen
Original Article 21 April 2011 Pages: 111 - 121
Erratum to: Fluorescence spectroscopy as a potential metabonomic tool for early detection of colorectal cancer
Anders Juul Lawaetz
Rasmus Bro
Hans J. Nielsen
Erratum 04 June 2011 Pages: 122 - 122
Pair-wise multicomparison and OPLS analyses of cold-acclimation phases in Siberian spruce
Liudmila Shiryaeva
Henrik Antti
Anton S. Shiriaev
Original Article Open access 11 April 2011 Pages: 123 - 130
Characterization of the natural variation in Arabidopsis thaliana metabolome by the analysis of metabolic distance
Benyamin Houshyani
Patrick Kabouw
Harro J. Bouwmeester
Original Article Open access 19 October 2011 Pages: 131 - 145
State-of-the art data normalization methods improve NMR-based metabolomic analysis
Stefanie M. Kohl
Matthias S. Klein
Wolfram Gronwald
Original Article Open access 12 August 2011 Pages: 146 - 160
Missing values in mass spectrometry based metabolomics: an undervalued step in the data processing pipeline
Olga Hrydziuszko
Mark R. Viant
Original Article 08 October 2011 Pages: 161 - 174
Aligning extracted LC-MS peak lists via density maximization
Venura Perera
Marta De Torres Zabala
Zheng Rong Yang
Original Article 07 December 2011 Pages: 175 - 185

Volume 8, Issue 1 supplement

Editorial–data analysis in metabolomics

Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies

Concurrent class analysis identifies discriminatory variables from metabolomics data on isovaleric acidemia

Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets

Multiblock principal component analysis: an efficient tool for analyzing metabolomics data which contain two influential factors

Data handling for interactive metabolomics: tools for studying the dynamics of metabolome-macromolecule interactions

Chemometric variance analysis of ¹H NMR metabolomics data on the effects of oral rinse on saliva

COVAIN: a toolbox for uni- and multivariate statistics, time-series and correlation network analysis and inverse estimation of the differential Jacobian from metabolomics covariance data

Individual differences in metabolomics: individualised responses and between-metabolite relationships

MET-IDEA version 2.06; improved efficiency and additional functions for mass spectrometry-based metabolomics data processing

Fluorescence spectroscopy as a potential metabonomic tool for early detection of colorectal cancer

Erratum to: Fluorescence spectroscopy as a potential metabonomic tool for early detection of colorectal cancer

Pair-wise multicomparison and OPLS analyses of cold-acclimation phases in Siberian spruce

Characterization of the natural variation in Arabidopsis thaliana metabolome by the analysis of metabolic distance

State-of-the art data normalization methods improve NMR-based metabolomic analysis

Missing values in mass spectrometry based metabolomics: an undervalued step in the data processing pipeline

Aligning extracted LC-MS peak lists via density maximization

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