HiRes - A tool for comprehensive assessment and interpretation of metabolomic data

Qi Zhao, Radka Stoyanova, Shuyan Du, Paul Sajda, Truman R. Brown

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

Summary: The increasing role of metabolomics in system biology is driving the development of tools for comprehensive analysis of high-resolution NMR spectral datasets. This task is quite challenging since unlike the datasets resulting from other 'omics', a substantial preprocessing of the data is needed to allow successful identification of spectral patterns associated with relevant biological variability. HiRes is a unique stand-alone software tool that combines standard NMR spectral processing functionalities with techniques for multi-spectral dataset analysis, such as principal component analysis and non-negative matrix factorization. In addition, HiRes contains extensive abilities for data cleansing, such as baseline correction, solvent peak suppression, removal of frequency shifts owing to experimental conditions as well as auxiliary information management. Integration of these components together with multivariate analytical procedures makes HiRes very capable of addressing the challenges for assessment and interpretation of large metabolomic datasets, greatly simplifying this otherwise lengthy and difficult process and assuring optimal information retrieval.

Original languageEnglish
Pages (from-to)2562-2564
Number of pages3
JournalBioinformatics
Volume22
Issue number20
DOIs
StatePublished - Oct 1 2006
Externally publishedYes

Fingerprint

Metabolomics
Nuclear magnetic resonance
Information retrieval
Factorization
Principal component analysis
Spectrum analysis
Information management
Auxiliary Information
Non-negative Matrix Factorization
Information Management
Systems Biology
Software Tools
Information Retrieval
Principal Component Analysis
Preprocessing
Information Storage and Retrieval
Baseline
High Resolution
Processing
Software

ASJC Scopus subject areas

  • Clinical Biochemistry
  • Computer Science Applications
  • Computational Theory and Mathematics

Cite this

HiRes - A tool for comprehensive assessment and interpretation of metabolomic data. / Zhao, Qi; Stoyanova, Radka; Du, Shuyan; Sajda, Paul; Brown, Truman R.

In: Bioinformatics, Vol. 22, No. 20, 01.10.2006, p. 2562-2564.

Research output: Contribution to journalArticle

Zhao, Qi ; Stoyanova, Radka ; Du, Shuyan ; Sajda, Paul ; Brown, Truman R. / HiRes - A tool for comprehensive assessment and interpretation of metabolomic data. In: Bioinformatics. 2006 ; Vol. 22, No. 20. pp. 2562-2564.
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