TAILIEUCHUNG - Báo cáo khoa học: TICL – a web tool for network-based interpretation of compound lists inferred by high-throughput metabolomics

High-throughput metabolomics is a dynamically developing technology that enables the mass separation of complex mixtures at very high resolu-tion. Metabolic profiling has begun to be widely used in clinical research to study the molecular mechanisms of complex cell disorders. | ễFEBS Journal TICL - a web tool for network-based interpretation of compound lists inferred by high-throughput metabolomics Alexey V. Antonov1 Sabine Dietmann1 Philip Wong1 and Hans W. Mewes1 2 1 Helmholtz Zentrum Munchen Institute for Bioinformatics and Systems Biology Neuherberg Germany 2 Department of Genome-Oriented Bioinformatics Technische Universitat Munchen Freising Germany Keywords bioinformatics tools for high-throughput metabolomics metabolomics statistical analysis and data mining statisticaland bioinformatics tools web tools for metabolomics Correspondence A. V. Antonov Helmholtz Zentrum Munchen - German Research Center for EnvironmentalHealth GmbH Institute for Bioinformatics and Systems Biology Ingolstadter LandstraBe 1 D-85764 Neuherberg Germany Fax 49 89 3187 3585 Tel 49 89 3187 2788 E-mail High-throughput metabolomics is a dynamically developing technology that enables the mass separation of complex mixtures at very high resolution. Metabolic profiling has begun to be widely used in clinical research to study the molecular mechanisms of complex cell disorders. Similar to trans-criptomics which is capable of detecting genes at differential states meta-bolomics is able to deliver a list of compounds differentially present between explored cell physiological conditions. The bioinformatics challenge lies in a statistically valid interpretation of the functional context for identified sets of metabolites. Here we present TICL a web tool for the automatic interpretation of lists of compounds. The major advance of TICL is that it not only provides a model of possible compound transformations related to the input list but also implements a robust statistical framework to estimate the significance of the inferred model. The TICL web tool is freely cmp. accessible at http proj Received 12 November 2008 revised 28 January 2009 accepted 2 February 2009 doi Knowledge of

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