Linked Metabolites: A tool for the construction of directed metabolic graphs.

John Easton; LM Harris; Mark Viant; Andrew Peet; Theodoros Arvanitis

doi:10.1016/j.compbiomed.2010.01.005

Linked Metabolites: A tool for the construction of directed metabolic graphs.

John Easton, LM Harris, Mark Viant, Andrew Peet, Theodoros Arvanitis

Research output: Contribution to journal › Article

3 Citations (Scopus)

Abstract

Metabolic pathway diagrams provide a wealth of information on how reactions combine to perform biological functions. While pathway diagrams are arranged in a way that allows a specific area of metabolism to be visualised, the inherent complexity of each pathway makes it difficult to identify the sets of reactions linking groups of compounds; a common task for researchers attempting to explain observed correlations or looking for further compounds of potential interest to use in validation work. Here we introduce Linked Metabolites, a tool that identifies sets of reactions linking groups of compounds in the context of the KEGG pathway diagrams.

Original language	English
Pages (from-to)	340-9
Number of pages	10
Journal	Computers in Biology and Medicine
Volume	40
Issue number	3
DOIs	https://doi.org/10.1016/j.compbiomed.2010.01.005
Publication status	Published - 5 Feb 2010

Keywords

KEGG
Directed graphs
Metabolic pathways
All simple paths search
Metabolomics

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10.1016/j.compbiomed.2010.01.005

Fellowship: Dr M.R. Viant: Development of a Predictive Biomarker Model for the Marine and Estuarine Environments using state-of-the-art NMR-based Metabonomics and Bioinformatic Techniques
Viant, M. (Principal Investigator)
Natural Environment Research Council
1/11/03 → 6/01/09
Project: Research Councils

Cite this

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title = "Linked Metabolites: A tool for the construction of directed metabolic graphs.",

abstract = "Metabolic pathway diagrams provide a wealth of information on how reactions combine to perform biological functions. While pathway diagrams are arranged in a way that allows a specific area of metabolism to be visualised, the inherent complexity of each pathway makes it difficult to identify the sets of reactions linking groups of compounds; a common task for researchers attempting to explain observed correlations or looking for further compounds of potential interest to use in validation work. Here we introduce Linked Metabolites, a tool that identifies sets of reactions linking groups of compounds in the context of the KEGG pathway diagrams.",

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AU - Easton, John

AU - Harris, LM

AU - Viant, Mark

AU - Peet, Andrew

AU - Arvanitis, Theodoros

PY - 2010/2/5

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N2 - Metabolic pathway diagrams provide a wealth of information on how reactions combine to perform biological functions. While pathway diagrams are arranged in a way that allows a specific area of metabolism to be visualised, the inherent complexity of each pathway makes it difficult to identify the sets of reactions linking groups of compounds; a common task for researchers attempting to explain observed correlations or looking for further compounds of potential interest to use in validation work. Here we introduce Linked Metabolites, a tool that identifies sets of reactions linking groups of compounds in the context of the KEGG pathway diagrams.

AB - Metabolic pathway diagrams provide a wealth of information on how reactions combine to perform biological functions. While pathway diagrams are arranged in a way that allows a specific area of metabolism to be visualised, the inherent complexity of each pathway makes it difficult to identify the sets of reactions linking groups of compounds; a common task for researchers attempting to explain observed correlations or looking for further compounds of potential interest to use in validation work. Here we introduce Linked Metabolites, a tool that identifies sets of reactions linking groups of compounds in the context of the KEGG pathway diagrams.

KW - KEGG

KW - Directed graphs

KW - Metabolic pathways

KW - All simple paths search

KW - Metabolomics

U2 - 10.1016/j.compbiomed.2010.01.005

DO - 10.1016/j.compbiomed.2010.01.005

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JO - Computers in Biology and Medicine

JF - Computers in Biology and Medicine

IS - 3

ER -

Linked Metabolites: A tool for the construction of directed metabolic graphs.

Abstract

Keywords

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Projects

Fellowship: Dr M.R. Viant: Development of a Predictive Biomarker Model for the Marine and Estuarine Environments using state-of-the-art NMR-based Metabonomics and Bioinformatic Techniques

Cite this