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.
Highlights
MetaboAnalyst is a widely used, web-based system that supports comprehensive metabolomic data analysis, visualization and interpretation
In MetaboAnalyst 3.0, we have introduced two new modules to address these more pragmatic clinical or translational needs––the Biomarker Analysis module for biomarker identification and performance evaluation, and the Power Analysis module to support sample size estimation for clinical study design
receiver operating characteristic (ROC) curves are often summarized into a single metric known as the area under the ROC curve (AUC), which is widely used to compare the performance of different biomarker models
Summary
MetaboAnalyst is a widely used, web-based system that supports comprehensive metabolomic data analysis, visualization and interpretation. In addition to the fixed size ‘Overview’, users can choose the ‘Detail View’ which will automatically adjust the output image size based on the actual uploaded data size to ensure that the resulting heatmaps will be readable (up to 2000 features) This new implementation takes advantage of the auto-scroll capability of newer web framework components for displaying overflowing content without distorting the user interface. We have added support for more organisms for metabolic pathway analysis, such as Schistosoma mansoni, Plasmodium falciparum, Trypanosoma brucei, Synechococcus elongatus This is a new module introduced in MetaboAnalyst 3.0 to allow users to integrate data from two commonly performed omic experiments––gene expression experiments and metabolomics experiments.
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