Title
Progressive peak clustering in GC-MS Metabolomic experiments applied to Leishmania parasites
Abstract
Motivation: A common problem in the emerging field of metabolomics is the consolidation of signal lists derived from metabolic profiling of different cell/tissue/fluid states where a number of replicate experiments was collected on each state. Results: We describe an approach for the consolidation of peak lists based on hierarchical clustering, first within each set of replicate experiments and then between the sets of replicate experiments. The problems of finding the dendrogram tree cutoff which gives the optimal number of peak clusters and the effect of different clustering methods were addressed. When applied to gas chromatography-mass spectrometry metabolic profiling data acquired on Leishmania mexicana, this approach resulted in robust data matrices which completely separated the wild-type and two mutant parasite lines based on their metabolic profile. Contact: vlikic@unimelb.edu.au
Year
DOI
Venue
2006
10.1093/bioinformatics/btl085
Bioinformatics
Keywords
Field
DocType
wild type,hierarchical clustering,gas chromatography mass spectrometry
Hierarchical clustering,Biology,Dendrogram,Metabolomics,Gas chromatography–mass spectrometry,Robust statistics,Bioinformatics,Cluster analysis,Replicate,Leishmania mexicana
Journal
Volume
Issue
ISSN
22
11
1367-4803
Citations 
PageRank 
References 
8
1.06
1
Authors
4
Name
Order
Citations
PageRank
David P. De Souza1504.38
Eleanor C. Saunders2443.93
Malcolm J. McConville3535.57
Vladimir A Likić4555.28