A roadmap for the establishment of standard data exchange structures for metabolomics

This briefing lays out the initial objectives and intent of the Data Exchange Working Group of the Metabolomics Standards Initiative (MSI), which operates under the aegis of the Metabolomics Society. The MSI has now reached a significant milestone in publishing a complete set of draft reporting requirements, simultaneously providing to the Data Exchange Working Group a set of drivers that function, for our purposes, as a series of specifications of the data and metadata that the products endorsed or developed by the Data Exchange Working Group should be able to effectively contain. We here describe our view of the existing resources that can be put to use, the ‘functionality gaps’ that need to be filled and the way in which we envisage these existing and planned resources fitting together to provide a framework that firstly, answers the needs of the metabolomics community and secondly, addresses the issues raised by the prospect of integrating metabolomics workflow descriptions and data with that from other domains, such as proteomics, genomics and transcriptomics.

[1]  Jason E. Stewart,et al.  Minimum information about a microarray experiment (MIAME)—toward standards for microarray data , 2001, Nature Genetics.

[2]  John Sumner,et al.  A simple, spreadsheet-based, food safety risk assessment tool. , 2002, International journal of food microbiology.

[3]  Jason E. Stewart,et al.  Design and implementation of microarray gene expression markup language (MAGE-ML) , 2002, Genome Biology.

[4]  Chris F. Taylor,et al.  A systematic approach to modeling, capturing, and disseminating proteomics experimental data , 2003, Nature Biotechnology.

[5]  S. Eddy,et al.  Sharing Publication-Related Data and Materials: Responsibilities of Authorship in the Life Sciences1 , 2003, Plant Physiology.

[6]  Joaquin Miller,et al.  MDA Guide Version 1.0.1 , 2003 .

[7]  Alípio Mário Jorge,et al.  Visualization and Evaluation Support of Knowledge Discovery through the Predictive Model Markup Language , 2003, KES.

[8]  Hiroaki Kitano,et al.  The systems biology markup language (SBML): a medium for representation and exchange of biochemical network models , 2003, Bioinform..

[9]  Nigel W. Hardy,et al.  A proposed framework for the description of plant metabolomics experiments and their results , 2004, Nature Biotechnology.

[10]  Kazuki Saito,et al.  Potential of metabolomics as a functional genomics tool. , 2004, Trends in plant science.

[11]  John N. Haselden,et al.  Standardisation of Reporting Methods for Metabolic Analyses : A Draft Policy Document from the Standard Metabolic Reporting Structures , 2005 .

[12]  T. N. Bhat,et al.  A framework for scientific data modeling and automated software development , 2005, Bioinform..

[13]  The Standard Metabolic Reporting Structures working group Summary recommendations for standardization and reporting of metabolic analyses , 2005 .

[14]  Nigel W. Hardy,et al.  Toward Supportive Data Collection Tools for Plant Metabolomics[w] , 2005, Plant Physiology.

[15]  Hugh D. Spence,et al.  Minimum information requested in the annotation of biochemical models (MIRIAM) , 2005, Nature Biotechnology.

[16]  Alvis Brazma,et al.  MGED standards: work in progress. , 2006, Omics : a journal of integrative biology.

[17]  Andrew R Jones,et al.  FuGE: Functional Genomics Experiment Object Model. , 2006, Omics : a journal of integrative biology.

[18]  Paul T. Spellman,et al.  A simple spreadsheet-based, MIAME-supportive format for microarray data: MAGE-TAB , 2006, BMC Bioinformatics.

[19]  D. Kell Systems biology, metabolic modelling and metabolomics in drug discovery and development. , 2006, Drug discovery today.

[20]  Chris F. Taylor,et al.  The work of the Human Proteome Organisation's Proteomics Standards Initiative (HUPO PSI). , 2006, Omics : a journal of integrative biology.

[21]  Chris F. Taylor,et al.  Metabolomics standards initiative: ontology working group work in progress , 2007, Metabolomics.

[22]  Nigel W. Hardy,et al.  The metabolomics standards initiative (MSI) , 2007, Metabolomics.

[23]  Nigel W. Hardy,et al.  Proposed minimum reporting standards for chemical analysis , 2007, Metabolomics.

[24]  Leo L. Cheng,et al.  Standard reporting requirements for biological samples in metabolomics experiments: mammalian/in vivo experiments , 2007, Metabolomics.

[25]  Ralf Takors,et al.  Standard reporting requirements for biological samples in metabolomics experiments: microbial and in vitro biology experiments , 2007, Metabolomics.

[26]  Ute Roessner,et al.  Minimum reporting standards for plant biology context information in metabolomic studies , 2007, Metabolomics.

[27]  Douglas B. Kell,et al.  Proposed minimum reporting standards for data analysis in metabolomics , 2007, Metabolomics.

[28]  Susanna-Assunta Sansone,et al.  Standard reporting requirements for biological samples in metabolomics experiments: environmental context , 2007, Metabolomics.

[29]  Nigel W. Hardy,et al.  Promoting coherent minimum reporting guidelines for biological and biomedical investigations: the MIBBI project , 2008, Nature Biotechnology.