{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,4,19]],"date-time":"2025-04-19T10:09:51Z","timestamp":1745057391785},"reference-count":9,"publisher":"Oxford University Press (OUP)","issue":"17","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2012,9,1]]},"abstract":"Abstract<\/jats:title>\n Summary: \u00a0MSeasy performs unsupervised data mining on gas chromatography\u2013mass spectrometry data. It detects putative compounds within complex metabolic mixtures through the clustering of mass spectra. Retention times or retention indices are used after clustering, together with other validation criteria, for quality control of putative compounds. The package generates a fingerprinting or profiling matrix compatible with NIST mass spectral search program and ARISTO webtool (Automatic Reduction of Ion Spectra To Ontology) for molecule identification. Most commonly used file formats, NetCDF, mzXML and ASCII, are acceptable. A graphical and user-friendly interface, MSeasyTkGUI, is available for R novices.<\/jats:p>\n Availability: \u00a0MSeasy and MSeasytkGUI are implemented as R packages available at http:\/\/cran.r-project.org\/web\/packages\/MSeasy\/index.html and http:\/\/cran.r-project.org\/web\/packages\/MSeasyTkGUI\/index.html<\/jats:p>\n Contact: \u00a0florence.nicole@univ-st-etienne.fr<\/jats:p>\n Supplementary information: Additional information, self-guided tutorials and demonstration data are available on the web site: http:\/\/sites.google.com\/site\/rpackagemseasy\/home. Workflow of MSeasy is available in supplementary material<\/jats:p>","DOI":"10.1093\/bioinformatics\/bts427","type":"journal-article","created":{"date-parts":[[2012,7,11]],"date-time":"2012-07-11T02:46:38Z","timestamp":1341974798000},"page":"2278-2280","source":"Crossref","is-referenced-by-count":29,"title":["MSeasy: unsupervised and untargeted GC-MS data processing"],"prefix":"10.1093","volume":"28","author":[{"given":"Florence","family":"Nicol\u00e8","sequence":"first","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"}]},{"given":"Yann","family":"Guitton","sequence":"additional","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"}]},{"given":"Elodie A.","family":"Courtois","sequence":"additional","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"}]},{"given":"Sandrine","family":"Moja","sequence":"additional","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"}]},{"given":"Laurent","family":"Legendre","sequence":"additional","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"},{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; Universit\u00e9 Lyon 1, Villeurbanne, France; CNRS, UMR5557, Ecologie Microbienne, Villeurbanne, France"}]},{"given":"Martine","family":"Hossaert-McKey","sequence":"additional","affiliation":[{"name":"1 Universit\u00e9 de Lyon, F-69003, Lyon; Universit\u00e9 de Saint-Etienne, F-42000, Saint-Etienne; Laboratoire BVpam, EA 3061; 23 rue du Dr Michelon, F-42000, Saint-Etienne, 2INRA USTL UMR SADV 1281 Stress Abiotiques et Diff\u00e9renciation des V\u00e9g\u00e9taux Cultiv\u00e9s, Universit\u00e9 Lille Nord de France, Lille 1, SN2, F-59655 Villeneuve D'Ascq, 3Station d'\u00e9cologie exp\u00e9rimentale du CNRS \u00e0 Moulis, 2 route du CNRS, 09200 Moulis, 4Centre d'Ecologie Fonctionnelle et Evolutive UMR 5175, 1919, route de Mende - 34293 Montpellier cedex 5, France and 5Universit\u00e9 de Lyon, F-69622, Lyon, France; 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