{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,7]],"date-time":"2026-02-07T18:23:01Z","timestamp":1770488581687,"version":"3.49.0"},"reference-count":12,"publisher":"Oxford University Press (OUP)","issue":"10","license":[{"start":{"date-parts":[[2018,10,5]],"date-time":"2018-10-05T00:00:00Z","timestamp":1538697600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100003032","name":"Association Nationale Recherche Technologie","doi-asserted-by":"crossref","award":["2016\/1074"],"award-info":[{"award-number":["2016\/1074"]}],"id":[{"id":"10.13039\/501100003032","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,5,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>The annotation of natural products and more generally small molecules is one of the major drawbacks in untargeted mass spectrometry analysis. Molecular networking has emerged as a structured way to organize and mine data from untargeted tandem mass spectrometry (MS\/MS) experiments. Despite the great potential of this tool, the annotation is usually performed manually by the expert as only few spectral libraries are available.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>Herein we propose a web server of in silico metabolization of metabolites that represents a full implementation of the metabolome consistency concept. The workflow is based on MS\/MS data, organized in molecular network using the Global Natural Products Social Molecular Networking (GNPS) platform, a collaborative library of reactions and a MS\/MS spectra prediction module. Having one node identified in the molecular network, the server generates putative structures and predict the associated MS\/MS spectra when the exact mass is detected in the network. A similarity comparison between the MS\/MS spectra is then performed in order to annotate the node.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>The web server is available at: https:\/\/metwork.pharmacie.parisdescartes.fr.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/bty864","type":"journal-article","created":{"date-parts":[[2018,10,4]],"date-time":"2018-10-04T20:36:49Z","timestamp":1538685409000},"page":"1795-1796","source":"Crossref","is-referenced-by-count":44,"title":["MetWork: a web server for natural products anticipation"],"prefix":"10.1093","volume":"35","author":[{"given":"Yann","family":"Beauxis","sequence":"first","affiliation":[{"name":"C-TAC UMR CNRS 8638 COMETE, Facult\u00e9 de Pharmacie de Paris, Universit\u00e9 Paris Descartes, Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gr\u00e9gory","family":"Genta-Jouve","sequence":"additional","affiliation":[{"name":"C-TAC UMR CNRS 8638 COMETE, Facult\u00e9 de Pharmacie de Paris, Universit\u00e9 Paris Descartes, Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2018,10,5]]},"reference":[{"key":"2023013107533669300_bty864-B1","doi-asserted-by":"crossref","first-page":"3317","DOI":"10.1021\/acs.analchem.5b04804","article-title":"Integration of molecular networking and In-Silico ms\/ms fragmentation for natural products dereplication","volume":"88","author":"Allard","year":"2016","journal-title":"Anal. Chem"},{"key":"2023013107533669300_bty864-B2","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.cbpa.2016.12.022","article-title":"Deep metabolome annotation in natural products research: towards a virtuous cycle in metabolite identification","volume":"36","author":"Allard","year":"2017","journal-title":"Curr. Opin. Chem. Biol"},{"key":"2023013107533669300_bty864-B3","doi-asserted-by":"crossref","first-page":"W94","DOI":"10.1093\/nar\/gku436","article-title":"Cfm-id: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra","volume":"42","author":"Allen","year":"2014","journal-title":"Nucleic Acids Res"},{"key":"2023013107533669300_bty864-B4","doi-asserted-by":"crossref","first-page":"421","DOI":"10.3390\/metabo4020421","article-title":"Metabolome consistency: additional parazoanthines from the mediterranean zoanthid Parazoanthus axinellae","volume":"4","author":"Audoin","year":"2014","journal-title":"Metabolites"},{"key":"2023013107533669300_bty864-B5","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.3390\/molecules23051237","article-title":"Ms\/ms-guided isolation of clarinoside, a new anti-inflammatory pentalogin derivative","volume":"23","author":"Audoin","year":"2018","journal-title":"Molecules"},{"key":"2023013107533669300_bty864-B6","doi-asserted-by":"crossref","first-page":"W495","DOI":"10.1093\/nar\/gky301","article-title":"Metexplore: collaborative edition and exploration of metabolic networks","volume":"46","author":"Cottret","year":"2018","journal-title":"Nucleic Acids Res"},{"key":"2023013107533669300_bty864-B7","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1371\/journal.pcbi.1006089","article-title":"Propagating annotations of molecular networks using in silico fragmentation","volume":"14","author":"da Silva","year":"2018","journal-title":"PLoS Comput. Biol"},{"key":"2023013107533669300_bty864-B8","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1021\/tx00045a016","article-title":"Metabolite predictions for para-substituted anisoles based on ab initio complete active space self-consistent field calculations","volume":"8","author":"de Groot","year":"1995","journal-title":"Chem. Res. Toxicol"},{"key":"2023013107533669300_bty864-B10","doi-asserted-by":"crossref","first-page":"291.","DOI":"10.1016\/j.phytol.2017.08.007","article-title":"Introducing the 2016 casmi contest","volume":"21","author":"Genta-Jouve","year":"2017","journal-title":"Phytochem. Lett"},{"key":"2023013107533669300_bty864-B151","doi-asserted-by":"crossref","DOI":"10.1021\/acs.analchem.8b03099","article-title":"MetGem software for the generation of molecular networks based on t-SNE algorithm","author":"Olivon","year":"2018","journal-title":"Anal. 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Biotechnol"}],"container-title":["Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/35\/10\/1795\/48970235\/bioinformatics_35_10_1795.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article-pdf\/35\/10\/1795\/48970235\/bioinformatics_35_10_1795.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,1,31]],"date-time":"2023-01-31T11:01:11Z","timestamp":1675162871000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bioinformatics\/article\/35\/10\/1795\/5116145"}},"subtitle":[],"editor":[{"given":"Jonathan","family":"Wren","sequence":"additional","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2018,10,5]]},"references-count":12,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2019,5,15]]}},"URL":"https:\/\/doi.org\/10.1093\/bioinformatics\/bty864","relation":{},"ISSN":["1367-4803","1367-4811"],"issn-type":[{"value":"1367-4803","type":"print"},{"value":"1367-4811","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2019,5,15]]},"published":{"date-parts":[[2018,10,5]]}}}