Title
Analysis of longitudinal metabolomics data
Author
Jansen, J.J.
Hoefsloot, H.C.J.
Boelens, H.F.M.
van der Greef, J.
Smilde, A.K.
TNO Voeding Centraal Instituut voor Voedingsonderzoek TNO
Publication year
2004
Abstract
Motivation: Metabolomics datasets are generally large and complex. Using principal component analysis (PCA), a simplified view of the variation in the data is obtained. The PCA model can be interpreted and the processes underlying the variation in the data can be analysed. In metabolomics, often a priori information is present about the data. Various forms of this information can be used in an unsupervised data analysis with weighted PCA (WPCA). A WPCA model will give a view on the data that is different from the view obtained using PCA, and it will add to the interpretation of the information in a metabolomics dataset. Results: A method is presented to translate spectra of repeated measurements into weights describing the experimental error. These weights are used in the data analysis with WPCA. The WPCA model will give a view on the data where the non-uniform experimental error is accounted for. Therefore, the WPCA model will focus more on the natural variation in the data. © Oxford University Press 2004; all rights reserved.
Subject
Research
Analytical research
Algorithm
Analytic method
Analytical error
Computer program
Controlled study
Female
Male
Mathematical computing
Metabolic regulation
Nonhuman
Nuclear magnetic resonance
Principal component analysis
Priority journal
Rhesus monkey
Scoring system
Urinalysis
Algorithms
Animals
Computer Simulation
Gene Expression Profiling
Macaca mulatta
Magnetic Resonance Spectroscopy
Models, Biological
Principal Component Analysis
Protein Interaction Mapping
Proteins
Signal Transduction
Time Factors
Urinalysis
To reference this document use:
http://resolver.tudelft.nl/uuid:b76fb3f8-e793-44be-bb7a-19d4539fb3ba
DOI
https://doi.org/10.1093/bioinformatics/bth268
TNO identifier
238053
ISSN
1367-4803
Source
Bioinformatics, 20 (15), 2438-2446
Document type
article