Probing the complex fusion of genetic and environmental interactions, metabolic profiling (or metabolomics/metabonomics), the study of small molecules involved in metabolic reactions, is a rapidly expanding 'omics' field. A major technique for capturing metabolite data is 1H-NMR spectroscopy and this yields highly complex profiles that require sophisticated statistical analysis methods.
Provides a web-based analytical pipeline for high-throughput metabolomics studies. MetaboAnalyst aims to offer a variety of commonly used procedures for metabolomic data processing, normalization, multivariate statistical analysis, as well as data annotation. The current implementation focuses on exploratory statistical analysis, functional interpretation, and advanced statistics for translational metabolomics studies. This tool is also available as desktop version.
Assists users nuclear magnetic resonance (NMR)-based metabonomics or metabolomics spectral processing and data analysis. Automics is a highly integrated platform that was developed to aid researchers for processing high dimensional NMR spectroscopic data. In addition, features such as data organization, data preprocessing and a wide range of data investigation techniques for multivariate data analysis, classification and regression have been implemented.
Includes widely used statistical methods to process and identify keys entities of input experiments, offers different integrative analysis methodologies and provides interactive visualization to facilitate biological interpretations. Metabox is a bioinformatics toolbox for deep phenotyping analytics that combines data processing, statistical analysis, functional analysis and integrative exploration of metabolomic data within proteomic and transcriptomic contexts. It supports in-depth analysis of metabolomic data by including four analysis modules: data normalization, statistical analysis, network construction and functional analysis.
Assists with analyze and management of multiple types of spectral and chemical data. KnowItAll Informatics System is an application that integrates toolsets for: spectral search, spectral identification, mixture analysis, multi-technique spectral data management, nuclear magnetic resonance (NMR) prediction, processing and subtraction, quality control analysis, reporting and publishing tools among others.