title: MetaboAnalyst 3.0--making metabolomics more meaningful.
abstract: MetaboAnalyst (www.metaboanalyst.ca) is a web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources. First introduced in 2009, MetaboAnalyst has experienced more than a 50X growth in user traffic (>50 000 jobs processed each month). In order to keep up with the rapidly increasing computational demands and a growing number of requests to support translational and systems biology applications, we performed a substantial rewrite and major feature upgrade of the server. The result is MetaboAnalyst 3.0. By completely re-implementing the MetaboAnalyst suite using the latest web framework technologies, we have been able substantially improve its performance, capacity and user interactivity. Three new modules have also been added including: (i) a module for biomarker analysis based on the calculation of receiver operating characteristic curves; (ii) a module for sample size estimation and power analysis for improved planning of metabolomics studies and (iii) a module to support integrative pathway analysis for both genes and metabolites. In addition, popular features found in existing modules have been significantly enhanced by upgrading the graphical output, expanding the compound libraries and by adding support for more diverse organisms.
authors.affiliation: Institute of Parasitology, and Department of Animal Science, McGill University, Ste. Ann de Bellevue, QC H9X 3V9, Canada Department of Microbiology and Immunology, McGill University, Montreal, QC H3A 2B4, Canada jeff.xia@mcgill.ca.
authors.forename: Jianguo
authors.initials: J
authors.lastname: Xia
authors.affiliation: Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, Canada.
authors.forename: Igor V
authors.initials: IV
authors.lastname: Sinelnikov
authors.affiliation: Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, Canada.
authors.forename: Beomsoo
authors.initials: B
authors.lastname: Han
authors.affiliation: Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, Canada Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, AB T6G 2M9, Canada.
authors.forename: David S
authors.initials: DS
authors.lastname: Wishart
mesh_terms: D015415:Biomarkers / Q000032:analysis; D020869:Gene Expression Profiling; D020407:Internet; D055432:Metabolomics / Q000379:methods*; D012372:ROC Curve; D018401:Sample Size; D012984:Software
chemical_list: D015415:Biomarkers