COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access

Metabolomics has become a crucial phenotyping technique in a range of research fields including medicine, the life sciences, biotechnology and the environmental sciences. This necessitates the transfer of experimental information between research groups, as well as potentially to publishers and funders. After the initial efforts of the metabolomics standards initiative, minimum reporting standards were proposed which included the concepts for metabolomics databases. Built by the community, standards and infrastructure for metabolomics are still needed to allow storage, exchange, comparison and re-utilization of metabolomics data. The Framework Programme 7 EU Initiative 'coordination of standards in metabolomics' (COSMOS) is developing a robust data infrastructure and exchange standards for metabolomics data and metadata. This is to support workflows for a broad range of metabolomics applications within the European metabolomics community and the wider metabolomics and biomedical communities' participation. Here we announce our concepts and efforts asking for re-engagement of the metabolomics community, academics and industry, journal publishers, software and hardware vendors, as well as those interested in standardisation worldwide (addressing missing metabolomics ontologies, complex-metadata capturing and XML based open source data exchange format), to join and work towards updating and implementing metabolomics standards.

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

[2]  David S. Wishart,et al.  HMDB 3.0—The Human Metabolome Database in 2013 , 2012, Nucleic Acids Res..

[3]  Matej Oresic,et al.  COordination of Standards in MetabOlomicS (COSMOS): facilitating integrated metabolomics data access , 2015, Metabolomics.

[4]  Rolf Apweiler,et al.  The Proteomics Standards Initiative , 2003, Proteomics.

[5]  Data producers deserve citation credit , 2009, Nature Genetics.

[6]  Nigel W. Hardy,et al.  Proposed reporting requirements for the description of NMR-based metabolomics experiments , 2007, Metabolomics.

[7]  Philippe Rocca-Serra,et al.  Challenges of molecular nutrition research 6: the nutritional phenotype database to store, share and evaluate nutritional systems biology studies , 2010, Genes & Nutrition.

[8]  Nigel W. Hardy,et al.  The Metabolomics Standards Initiative , 2007, Nature Biotechnology.

[9]  Oliver Hofmann,et al.  ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level , 2010, Bioinform..

[10]  Robert Burke,et al.  ProteoWizard: open source software for rapid proteomics tools development , 2008, Bioinform..

[11]  Christoph Steinbeck,et al.  MetaboLights: towards a new COSMOS of metabolomics data management , 2012, Metabolomics.

[12]  F. Ausubel Metabolomics , 2012, Nature Biotechnology.

[13]  Susanna-Assunta Sansone,et al.  linkedISA: semantic representation of ISA-Tab experimental metadata , 2014, BMC Bioinformatics.

[14]  Ian D. Wilson,et al.  Metabolic Phenotyping in Health and Disease , 2008, Cell.

[15]  John C Lindon,et al.  Pharmacometabonomics as an effector for personalized medicine. , 2011, Pharmacogenomics.

[16]  R. Goodacre An overflow of… what else but metabolism! , 2010, Metabolomics.

[17]  Yutaka Yamada,et al.  PRIMe Update: Innovative Content for Plant Metabolomics and Integration of Gene Expression and Metabolite Accumulation , 2013, Plant & cell physiology.

[18]  Steffen Neumann,et al.  The Risa R/Bioconductor package: integrative data analysis from experimental metadata and back again , 2014, BMC Bioinformatics.

[19]  J. Markley,et al.  rNMR: open source software for identifying and quantifying metabolites in NMR spectra , 2009, Magnetic resonance in chemistry : MRC.

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

[21]  Theodoros N. Arvanitis,et al.  Birmingham Metabolite Library: a publicly accessible database of 1-D 1H and 2-D 1H J-resolved NMR spectra of authentic metabolite standards (BML-NMR) , 2011, Metabolomics.

[22]  Nigel W. Hardy,et al.  Summary recommendations for standardization and reporting of metabolic analyses , 2005, Nature Biotechnology.

[23]  John C. Lindon,et al.  Metabolomics Standards Workshop and the development of international standards for reporting metabolomics experimental results , 2006, Briefings Bioinform..

[24]  Maria De Iorio,et al.  BATMAN - an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model , 2012, Bioinform..

[25]  Ibrahim Emam,et al.  ArrayExpress update—from an archive of functional genomics experiments to the atlas of gene expression , 2008, Nucleic Acids Res..

[26]  Christoph Steinbeck,et al.  Dissemination of metabolomics results: role of MetaboLights and COSMOS , 2013, GigaScience.

[27]  Christian Ludwig,et al.  MetaboLab - advanced NMR data processing and analysis for metabolomics , 2011, BMC Bioinformatics.

[28]  Sean R. Davis,et al.  NCBI GEO: archive for functional genomics data sets—update , 2012, Nucleic Acids Res..

[29]  Joachim Selbig,et al.  Decision tree supported substructure prediction of metabolites from GC-MS profiles , 2010, Metabolomics.

[30]  Royston Goodacre Water, water, every where, but rarely any drop to drink , 2013, Metabolomics.

[31]  Patricia L. Whetzel,et al.  OntoMaton: a Bioportal powered ontology widget for Google Spreadsheets , 2012, Bioinform..

[32]  Julie A. Dickerson,et al.  PlantMetabolomics.org: A Web Portal for Plant Metabolomics Experiments1[C][W][OA] , 2010, Plant Physiology.

[33]  Macha Nikolski,et al.  MeRy-B: a web knowledgebase for the storage, visualization, analysis and annotation of plant NMR metabolomic profiles , 2011, BMC Plant Biology.

[34]  Nigel W. Hardy,et al.  Establishing reporting standards for metabolomic and metabonomic studies: a call for participation. , 2006, Omics : a journal of integrative biology.

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

[36]  M. Milburn,et al.  Metabolomics as a Key Integrator for “Omic” Advancement of Personalized Medicine and Future Therapies , 2012, Clinical and translational science.

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

[38]  Martin Eisenacher,et al.  The mzQuantML Data Standard for Mass Spectrometry–based Quantitative Studies in Proteomics , 2013, Molecular & Cellular Proteomics.

[39]  B. Usadel,et al.  Xeml Lab: a tool that supports the design of experiments at a graphical interface and generates computer-readable metadata files, which capture information about genotypes, growth conditions, environmental perturbations and sampling strategy. , 2009, Plant, cell & environment.

[40]  M. Mann,et al.  Quantitative, high-resolution proteomics for data-driven systems biology. , 2011, Annual review of biochemistry.

[41]  T. Hankemeier,et al.  Metabolomics-based systems biology and personalized medicine: moving towards n = 1 clinical trials? , 2006, Pharmacogenomics.

[42]  D. Kell,et al.  Metabolomics by numbers: acquiring and understanding global metabolite data. , 2004, Trends in biotechnology.

[43]  Christoph Steinbeck,et al.  The role of reporting standards for metabolite annotation and identification in metabolomic studies , 2013, GigaScience.

[44]  Martin Eisenacher,et al.  The mzIdentML Data Standard for Mass Spectrometry-Based Proteomics Results , 2012, Molecular & Cellular Proteomics.

[45]  Christoph Steinbeck,et al.  The MetaboLights repository: curation challenges in metabolomics , 2013, Database J. Biol. Databases Curation.

[46]  Christoph Steinbeck,et al.  A Metadata description of the data in "A metabolomic comparison of urinary changes in type 2 diabetes in mouse, rat, and human." , 2011, BMC Research Notes.

[47]  Mark R. Viant,et al.  Environmental metabolomics: a critical review and future perspectives , 2009, Metabolomics.

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

[49]  Christoph Steinbeck,et al.  MetaboLights—an open-access general-purpose repository for metabolomics studies and associated meta-data , 2012, Nucleic Acids Res..

[50]  Natalie I. Tasman,et al.  A Cross-platform Toolkit for Mass Spectrometry and Proteomics , 2012, Nature Biotechnology.

[51]  E. Hall,et al.  The nature of biotechnology. , 1988, Journal of biomedical engineering.

[52]  Lennart Martens,et al.  mzML—a Community Standard for Mass Spectrometry Data* , 2010, Molecular & Cellular Proteomics.

[53]  J. Lindon,et al.  Pharmaco-metabonomic phenotyping and personalized drug treatment , 2006, Nature.

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

[55]  It's not about the data , 2012, Nature Genetics.

[56]  Nigel W. Hardy,et al.  A roadmap for the establishment of standard data exchange structures for metabolomics , 2007, Metabolomics.

[57]  Ivano Bertini,et al.  Standard operating procedures for pre-analytical handling of blood and urine for metabolomic studies and biobanks , 2011, Journal of biomolecular NMR.

[58]  Martin Scholz,et al.  Pacific Symposium on Biocomputing 12:169-180(2007) SETUP X – A PUBLIC STUDY DESIGN DATABASE FOR METABOLOMIC PROJECTS , 2022 .

[59]  Rolf Apweiler,et al.  The HUPO Proteomics Standards Initiative Meeting: Towards Common Standards for Exchanging Proteomics Data , 2003, Comparative and functional genomics.