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Spectral Database: from data model to web interface

hal.structure.identifierUnité de Nutrition Humaine [UNH]
hal.structure.identifierPlateforme Exploration du Métabolisme [PFEM]
dc.contributor.authorPAULHE, Nils
hal.structure.identifierUnité de Nutrition Humaine [UNH]
hal.structure.identifierPlateforme Exploration du Métabolisme [PFEM]
dc.contributor.authorDUPERIER, Christophe
hal.structure.identifierBiologie du fruit et pathologie [BFP]
hal.structure.identifierMetaboHUB
dc.contributor.authorJACOB, Daniel
dc.contributor.authorTHÉVENOT, Etienne
hal.structure.identifierMetaboHUB
hal.structure.identifierMetaToul AXIOM [E20]
dc.contributor.authorMARTIN, Jean-Francois
hal.structure.identifierUnité de Nutrition Humaine [UNH]
hal.structure.identifierPlateforme Exploration du Métabolisme [PFEM]
dc.contributor.authorLOPEZ, Claire
hal.structure.identifierUnité de Nutrition Humaine [UNH]
hal.structure.identifierPlateforme Exploration du Métabolisme [PFEM]
dc.contributor.authorGIACOMONI, Franck
dc.date.issued2014
dc.date.conference2014-05-19
dc.description.abstractEnMetaboHUB is a metabolomics and fluxomics infrastructure that provides tools to research teams and partners. The Bioinformatics and Biostatistics service is specialized in NMR, GC- and LC-MS data processing and analysis, from raw data to metabolite identification. To challenge the annotation of these data and centralize knowledge, a dedicated team is building a software to assist in identification, including a compound and spectra database. The core of the “MetaboHUB Spectral Database”, called "data-model", is a computational representation of each entity involved in Spectra analysis and Chemical Compounds identification. One of the strengths of the project is the common work between chemical experts and bioinformaticians in data model design permitting respect of logics and constraints uses in Metabolomics during data manipulation and storage. The software architecture allows us to use parts of the project as standalone software, available for the community. The data-model seems to be able to manage several types of chemical compounds (like standards or sub-structures) and different types of Spectra (MS, MS/MS and NMR, simple, JRES and multidimensional). We will be able to approve the data-model with data from the chemical libraries provided by MetaboHUB members. One of the final goals of the spectral database is to provide a computed aided spectra identification tool, using all these data.thought a web-portal. Two milestones are coming: a first to provide a mechanism to import spectral data in the data-model (which means in the database too), a second to define metadata around spectral analysis.
dc.language.isoen
dc.subjectmetabolomics
dc.subjectspectra
dc.subject.endatabase
dc.title.enSpectral Database: from data model to web interface
dc.typeAutre communication scientifique (congrès sans actes - poster - séminaire...)
dc.subject.halSciences du Vivant [q-bio]/Alimentation et Nutrition
bordeaux.conference.title8. Journées Scientifiques du Réseau Français de Métabolomique et Fluxomique RFMF
bordeaux.countryFR
bordeaux.conference.cityLyon
bordeaux.peerReviewedoui
hal.identifierhal-02742064
hal.version1
hal.invitednon
hal.proceedingsnon
hal.conference.organizerRégion Rhône Alpes. FRA.
hal.conference.end2014-05-21
hal.popularnon
hal.audienceNationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-02742064v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.date=2014&rft.au=PAULHE,%20Nils&DUPERIER,%20Christophe&JACOB,%20Daniel&TH%C3%89VENOT,%20Etienne&MARTIN,%20Jean-Francois&rft.genre=conference


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