Publication

Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining

Jourdan, F., Cottret, L., Huc, L., Wildridge, D., Scheltema, R., Hillenweck, A., Barrett, M. P., Zalko, D., Watson, D. G. & Debrauwer, L., Jun-2010, In : Metabolomics. 6, 2, p. 312-321 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

APA

Jourdan, F., Cottret, L., Huc, L., Wildridge, D., Scheltema, R., Hillenweck, A., ... Debrauwer, L. (2010). Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining. Metabolomics, 6(2), 312-321. https://doi.org/10.1007/s11306-009-0196-9

Author

Jourdan, Fabien ; Cottret, Ludovic ; Huc, Laurence ; Wildridge, David ; Scheltema, Richard ; Hillenweck, Anne ; Barrett, Michael P. ; Zalko, Daniel ; Watson, David G. ; Debrauwer, Laurent. / Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining. In: Metabolomics. 2010 ; Vol. 6, No. 2. pp. 312-321.

Harvard

Jourdan, F, Cottret, L, Huc, L, Wildridge, D, Scheltema, R, Hillenweck, A, Barrett, MP, Zalko, D, Watson, DG & Debrauwer, L 2010, 'Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining', Metabolomics, vol. 6, no. 2, pp. 312-321. https://doi.org/10.1007/s11306-009-0196-9

Standard

Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining. / Jourdan, Fabien; Cottret, Ludovic; Huc, Laurence; Wildridge, David; Scheltema, Richard; Hillenweck, Anne; Barrett, Michael P.; Zalko, Daniel; Watson, David G.; Debrauwer, Laurent.

In: Metabolomics, Vol. 6, No. 2, 06.2010, p. 312-321.

Research output: Contribution to journalArticleAcademicpeer-review

Vancouver

Jourdan F, Cottret L, Huc L, Wildridge D, Scheltema R, Hillenweck A et al. Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining. Metabolomics. 2010 Jun;6(2):312-321. https://doi.org/10.1007/s11306-009-0196-9


BibTeX

@article{280804cffeb945349f4a14786177b6d5,
title = "Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining",
abstract = "Metabolomics experiments seldom achieve their aim of comprehensively covering the entire metabolome. However, important information can be gleaned even from sparse datasets, which can be facilitated by placing the results within the context of known metabolic networks. Here we present a method that allows the automatic assignment of identified metabolites to positions within known metabolic networks, and, furthermore, allows automated extraction of sub-networks of biological significance. This latter feature is possible by use of a gap-filling algorithm. The utility of the algorithm in reconstructing and mining of metabolomics data is shown on two independent datasets generated with LC-MS LTQ-Orbitrap mass spectrometry. Biologically relevant metabolic sub-networks were extracted from both datasets. Moreover, a number of metabolites, whose presence eluded automatic selection within mass spectra, could be identified retrospectively by virtue of their inferred presence through gap filling.",
keywords = "Metabolic network, Graph algorithm, Gap-filling, Metabolomics, MASS-SPECTROMETRY, PATHWAYS, GENOME, TOOL",
author = "Fabien Jourdan and Ludovic Cottret and Laurence Huc and David Wildridge and Richard Scheltema and Anne Hillenweck and Barrett, {Michael P.} and Daniel Zalko and Watson, {David G.} and Laurent Debrauwer",
year = "2010",
month = "6",
doi = "10.1007/s11306-009-0196-9",
language = "English",
volume = "6",
pages = "312--321",
journal = "Metabolomics",
issn = "1573-3882",
publisher = "SPRINGER",
number = "2",

}

RIS

TY - JOUR

T1 - Use of reconstituted metabolic networks to assist in metabolomic data visualization and mining

AU - Jourdan, Fabien

AU - Cottret, Ludovic

AU - Huc, Laurence

AU - Wildridge, David

AU - Scheltema, Richard

AU - Hillenweck, Anne

AU - Barrett, Michael P.

AU - Zalko, Daniel

AU - Watson, David G.

AU - Debrauwer, Laurent

PY - 2010/6

Y1 - 2010/6

N2 - Metabolomics experiments seldom achieve their aim of comprehensively covering the entire metabolome. However, important information can be gleaned even from sparse datasets, which can be facilitated by placing the results within the context of known metabolic networks. Here we present a method that allows the automatic assignment of identified metabolites to positions within known metabolic networks, and, furthermore, allows automated extraction of sub-networks of biological significance. This latter feature is possible by use of a gap-filling algorithm. The utility of the algorithm in reconstructing and mining of metabolomics data is shown on two independent datasets generated with LC-MS LTQ-Orbitrap mass spectrometry. Biologically relevant metabolic sub-networks were extracted from both datasets. Moreover, a number of metabolites, whose presence eluded automatic selection within mass spectra, could be identified retrospectively by virtue of their inferred presence through gap filling.

AB - Metabolomics experiments seldom achieve their aim of comprehensively covering the entire metabolome. However, important information can be gleaned even from sparse datasets, which can be facilitated by placing the results within the context of known metabolic networks. Here we present a method that allows the automatic assignment of identified metabolites to positions within known metabolic networks, and, furthermore, allows automated extraction of sub-networks of biological significance. This latter feature is possible by use of a gap-filling algorithm. The utility of the algorithm in reconstructing and mining of metabolomics data is shown on two independent datasets generated with LC-MS LTQ-Orbitrap mass spectrometry. Biologically relevant metabolic sub-networks were extracted from both datasets. Moreover, a number of metabolites, whose presence eluded automatic selection within mass spectra, could be identified retrospectively by virtue of their inferred presence through gap filling.

KW - Metabolic network

KW - Graph algorithm

KW - Gap-filling

KW - Metabolomics

KW - MASS-SPECTROMETRY

KW - PATHWAYS

KW - GENOME

KW - TOOL

U2 - 10.1007/s11306-009-0196-9

DO - 10.1007/s11306-009-0196-9

M3 - Article

VL - 6

SP - 312

EP - 321

JO - Metabolomics

JF - Metabolomics

SN - 1573-3882

IS - 2

ER -

ID: 5091048