{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T01:26:39Z","timestamp":1787707599138,"version":"build-2784847793"},"reference-count":108,"publisher":"Oxford University Press (OUP)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Brief Bioinform"],"published-print":{"date-parts":[[2016,5]]},"DOI":"10.1093\/bib\/bbv077","type":"journal-article","created":{"date-parts":[[2015,9,5]],"date-time":"2015-09-05T23:58:07Z","timestamp":1441497487000},"page":"541-552","source":"Crossref","is-referenced-by-count":39,"title":["Bioinformatics tools for the analysis of NMR metabolomics studies focused on the identification of clinically relevant biomarkers"],"prefix":"10.1093","volume":"17","author":[{"given":"Leonor","family":"Puchades-Carrasco","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Martina","family":"Palomino-Sch\u00e4tzlein","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Clara","family":"P\u00e9rez-Rambla","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antonio","family":"Pineda-Lucena","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2015,9,4]]},"reference":[{"key":"2016051723473496000_17.3.541.1","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-012-6117-1"},{"key":"2016051723473496000_17.3.541.2","doi-asserted-by":"publisher","DOI":"10.1074\/mcp.M111.016006"},{"key":"2016051723473496000_17.3.541.3","doi-asserted-by":"publisher","DOI":"10.1586\/14737159.8.5.617"},{"key":"2016051723473496000_17.3.541.4","doi-asserted-by":"publisher","DOI":"10.1007\/s00204-010-0609-6"},{"key":"2016051723473496000_17.3.541.5","doi-asserted-by":"publisher","DOI":"10.1038\/leu.2009.295"},{"key":"2016051723473496000_17.3.541.6","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-12-2917"},{"key":"2016051723473496000_17.3.541.7","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0904489106"},{"key":"2016051723473496000_17.3.541.8","doi-asserted-by":"publisher","DOI":"10.2217\/pgs.10.157"},{"key":"2016051723473496000_17.3.541.9","doi-asserted-by":"publisher","DOI":"10.1586\/14737159.2015.974562"},{"key":"2016051723473496000_17.3.541.10","doi-asserted-by":"crossref","unstructured":"Billoir E Navratil V Blaise JB . Sample size calculation in metabolic phenotyping studies. Brief Bioinform 2015.","DOI":"10.1093\/bib\/bbu052"},{"key":"2016051723473496000_17.3.541.11","doi-asserted-by":"publisher","DOI":"10.1002\/mnfr.200800516"},{"key":"2016051723473496000_17.3.541.12","doi-asserted-by":"publisher","DOI":"10.1002\/jso.21831"},{"key":"2016051723473496000_17.3.541.13","doi-asserted-by":"publisher","DOI":"10.1186\/1471–2105–13-S1-S2"},{"key":"2016051723473496000_17.3.541.14","doi-asserted-by":"publisher","DOI":"10.1016\/j.pnmrs.2009.07.003"},{"key":"2016051723473496000_17.3.541.15","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-61737-985-7_21"},{"key":"2016051723473496000_17.3.541.16","doi-asserted-by":"publisher","DOI":"10.1186\/2043-9113-1-2"},{"key":"2016051723473496000_17.3.541.17","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq254"},{"key":"2016051723473496000_17.3.541.18","doi-asserted-by":"publisher","DOI":"10.1016\/j.fertnstert.2013.01.097"},{"key":"2016051723473496000_17.3.541.19","doi-asserted-by":"publisher","DOI":"10.1002\/cfg.62"},{"key":"2016051723473496000_17.3.541.20","doi-asserted-by":"publisher","DOI":"10.1002\/biot.201100305"},{"key":"2016051723473496000_17.3.541.21","doi-asserted-by":"publisher","DOI":"10.1158\/1055-9965.EPI-12-1109"},{"key":"2016051723473496000_17.3.541.22","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1235"},{"key":"2016051723473496000_17.3.541.23","doi-asserted-by":"publisher","DOI":"10.1148\/radiol.2303030297"},{"key":"2016051723473496000_17.3.541.24","doi-asserted-by":"crossref","unstructured":"Imaizumi A Nishikata N Yoshida H . Clinical implementation of metabolomics, Chapter 12. In: Roessner U (ed), Metabolomics. INTECH Open Access Publisher, 2012.","DOI":"10.5772\/33034"},{"key":"2016051723473496000_17.3.541.25","doi-asserted-by":"publisher","DOI":"10.1001\/jama.1990.03440020109043"},{"key":"2016051723473496000_17.3.541.26","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv380"},{"key":"2016051723473496000_17.3.541.27","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2164-10-439"},{"key":"2016051723473496000_17.3.541.28","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1515\/sagmb-2012-0046","article-title":"General power and sample size calculations for high-dimensional genomic data","volume":"12","author":"van Iterson","year":"2013","journal-title":"Stat Appl Genet Mol Biol"},{"key":"2016051723473496000_17.3.541.29","doi-asserted-by":"publisher","DOI":"10.1021\/ac4022314"},{"key":"2016051723473496000_17.3.541.30","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-14-338"},{"key":"2016051723473496000_17.3.541.31","first-page":"337","article-title":"Solvent peak saturation with single phase and quadrature Fourier transformation","volume":"21","author":"Hoult","year":"1976","journal-title":"J Magn Reson"},{"key":"2016051723473496000_17.3.541.32","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1002\/cmr.a.20223","article-title":"How the 1D-NOESY suppresses solvent signal in metabolomics NMR spectroscopy: an examination on the pulse sequence components and evolution","volume":"38A","author":"McKay","year":"2011","journal-title":"Concepts Magn Reson"},{"key":"2016051723473496000_17.3.541.33","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2007.376"},{"key":"2016051723473496000_17.3.541.34","doi-asserted-by":"publisher","DOI":"10.1007\/BF00197809"},{"key":"2016051723473496000_17.3.541.35","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu830"},{"key":"2016051723473496000_17.3.541.36","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1002\/cmr.a.10089","article-title":"Nuclear magnetic resonance data processing. MestRe-C: a software package for desktop computers","volume":"19A","author":"Cobas","year":"2003","journal-title":"Concept Magn Reson"},{"key":"2016051723473496000_17.3.541.37","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmr.2007.03.017"},{"key":"2016051723473496000_17.3.541.38","unstructured":"NUTS. NMR Data Processing Software. Acorn NMR Inc, 2009. http:\/\/www.AcornNMR.com ."},{"key":"2016051723473496000_17.3.541.39","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/14.7.624"},{"key":"2016051723473496000_17.3.541.40","unstructured":"ACD\/Labs. http:\/\/www.acdlabs.com (1 April 2015, date last accessed)."},{"key":"2016051723473496000_17.3.541.41","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btl428"},{"key":"2016051723473496000_17.3.541.42","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-363"},{"key":"2016051723473496000_17.3.541.43","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-10-83"},{"key":"2016051723473496000_17.3.541.44","doi-asserted-by":"publisher","DOI":"10.1021\/cb4008937"},{"key":"2016051723473496000_17.3.541.45","unstructured":"Spectrum Miner, One Moon Scientific, Inc. 2013. http:\/\/www.onemoonscientific.com\/datachord-spectrum-miner."},{"key":"2016051723473496000_17.3.541.46","doi-asserted-by":"publisher","DOI":"10.1021\/ac060209g"},{"key":"2016051723473496000_17.3.541.47","doi-asserted-by":"publisher","DOI":"10.1021\/ac403110u"},{"key":"2016051723473496000_17.3.541.48","unstructured":"Ravanbakhsh S Liu P Mandal R . Accurate, fully-automated NMR spectral profiling for metabolomics. arXiv 2014;1409\u201356."},{"key":"2016051723473496000_17.3.541.49","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-12-366"},{"key":"2016051723473496000_17.3.541.50","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmr.2009.11.012"},{"key":"2016051723473496000_17.3.541.51","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-12-405"},{"key":"2016051723473496000_17.3.541.52","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-010-0270-3"},{"key":"2016051723473496000_17.3.541.53","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-007-0102-2"},{"key":"2016051723473496000_17.3.541.54","doi-asserted-by":"publisher","DOI":"10.1021\/ac051632c"},{"key":"2016051723473496000_17.3.541.55","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/19.2.185"},{"key":"2016051723473496000_17.3.541.56","doi-asserted-by":"crossref","unstructured":"Workman C Jensen LJ Jarmer H . A new non-linear normalization method for reducing variability in DNA microarray experiments. Genome Biol 2002;3(9):research0048.","DOI":"10.1186\/gb-2002-3-9-research0048"},{"key":"2016051723473496000_17.3.541.57","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-011-0350-z"},{"key":"2016051723473496000_17.3.541.58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.5b00145"},{"key":"2016051723473496000_17.3.541.59","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu175"},{"key":"2016051723473496000_17.3.541.60","doi-asserted-by":"publisher","DOI":"10.1016\/j.aca.2012.05.049"},{"key":"2016051723473496000_17.3.541.61","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2164-7-142"},{"key":"2016051723473496000_17.3.541.62","doi-asserted-by":"publisher","DOI":"10.1021\/ac0519312"},{"key":"2016051723473496000_17.3.541.63","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-8-234"},{"key":"2016051723473496000_17.3.541.64","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts034"},{"key":"2016051723473496000_17.3.541.65","doi-asserted-by":"publisher","DOI":"10.1002\/bies.10385"},{"key":"2016051723473496000_17.3.541.66","doi-asserted-by":"crossref","unstructured":"Brereton RG . Chemometrics for Pattern Recognition. Chichester: John Wiley & Sons, 2009.","DOI":"10.1002\/9780470746462"},{"key":"2016051723473496000_17.3.541.67","doi-asserted-by":"publisher","DOI":"10.1016\/S0169-7439(01)00155-1"},{"key":"2016051723473496000_17.3.541.68","unstructured":"Lindon JC Nicholson JK Holmes E . The Handbook of Metabonomics and Metabolomics. Elsevier\/Oxford, 2011."},{"key":"2016051723473496000_17.3.541.69","doi-asserted-by":"publisher","DOI":"10.1002\/cem.695"},{"key":"2016051723473496000_17.3.541.70","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-007-0099-6"},{"key":"2016051723473496000_17.3.541.71","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-011-0292-5"},{"key":"2016051723473496000_17.3.541.72","first-page":"23","article-title":"Analytical methods in untargeted metabolomics: state of the art in 2015","volume":"3","author":"Arnald","year":"2015","journal-title":"Bioeng Biotechnol"},{"key":"2016051723473496000_17.3.541.73","doi-asserted-by":"crossref","unstructured":"Mitchell M . An Introduction to Genetic Algorithms. Cambridge, MA: MIT Press, 1996.","DOI":"10.7551\/mitpress\/3927.001.0001"},{"key":"2016051723473496000_17.3.541.74","unstructured":"The Comprehensive R Archive Network. http:\/\/cran.r-project.org\/web\/packages (1 April 2015, date last accessed)."},{"issue":"5","key":"2016051723473496000_17.3.541.75","doi-asserted-by":"crossref","first-page":"1289","DOI":"10.1021\/ac048630x","article-title":"Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets","volume":"77","author":"Cloarec","year":"2005","journal-title":"Anal Chem"},{"key":"2016051723473496000_17.3.541.76","doi-asserted-by":"publisher","DOI":"10.1021\/pr200489n"},{"key":"2016051723473496000_17.3.541.77","doi-asserted-by":"publisher","DOI":"10.1016\/0169-7439(95)00090-9"},{"key":"2016051723473496000_17.3.541.78","doi-asserted-by":"publisher","DOI":"10.1002\/cem.1006"},{"key":"2016051723473496000_17.3.541.79","doi-asserted-by":"publisher","DOI":"10.2174\/2213235X11301020005"},{"key":"2016051723473496000_17.3.541.80","doi-asserted-by":"publisher","DOI":"10.1021\/ac201625f"},{"key":"2016051723473496000_17.3.541.81","doi-asserted-by":"publisher","DOI":"10.1002\/cem.858"},{"key":"2016051723473496000_17.3.541.82","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-9-507"},{"key":"2016051723473496000_17.3.541.83","doi-asserted-by":"publisher","DOI":"10.1002\/mrc.2526"},{"key":"2016051723473496000_17.3.541.84","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-12-400"},{"key":"2016051723473496000_17.3.541.85","doi-asserted-by":"publisher","DOI":"10.1021\/ac9022023"},{"key":"2016051723473496000_17.3.541.86","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmr.2012.11.008"},{"key":"2016051723473496000_17.3.541.87","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2014.090"},{"key":"2016051723473496000_17.3.541.88","doi-asserted-by":"publisher","DOI":"10.1021\/ac200536b"},{"key":"2016051723473496000_17.3.541.89","doi-asserted-by":"crossref","first-page":"251","DOI":"10.2144\/000114026","article-title":"MetaboQuant: a tool combining individual peak calibration and outlier detection for accurate metabolite quantification in 1D 1H and 1H-13C HSQC NMR spectra","volume":"54","author":"Klein","year":"2013","journal-title":"Biotechniques"},{"key":"2016051723473496000_17.3.541.90","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr118"},{"key":"2016051723473496000_17.3.541.91","doi-asserted-by":"publisher","DOI":"10.3390\/md11103742"},{"key":"2016051723473496000_17.3.541.92","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bti623"},{"key":"2016051723473496000_17.3.541.93","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-12-77"},{"key":"2016051723473496000_17.3.541.94","doi-asserted-by":"publisher","DOI":"10.1007\/s11306-012-0482-9"},{"key":"2016051723473496000_17.3.541.95","doi-asserted-by":"publisher","DOI":"10.1093\/aje\/kwu143"},{"key":"2016051723473496000_17.3.541.96","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq567"},{"key":"2016051723473496000_17.3.541.97","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btt285"},{"key":"2016051723473496000_17.3.541.98","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btr661"},{"key":"2016051723473496000_17.3.541.99","unstructured":"Ingenuity Pathway Analysis (IPA). QIAGEN, Silicon Valley. http:\/\/www.ingenuity.com\/products\/ipa."},{"key":"2016051723473496000_17.3.541.100","unstructured":"MetaCore. GeneGo, Inc. https:\/\/portal.genego.com."},{"key":"2016051723473496000_17.3.541.101","doi-asserted-by":"publisher","DOI":"10.1002\/0470857897.ch8"},{"key":"2016051723473496000_17.3.541.102","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks1055"},{"key":"2016051723473496000_17.3.541.103","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkq329"},{"key":"2016051723473496000_17.3.541.104","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btq418"},{"key":"2016051723473496000_17.3.541.105","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gks1065"},{"key":"2016051723473496000_17.3.541.106","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-13-99"},{"key":"2016051723473496000_17.3.541.107","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btu179"},{"key":"2016051723473496000_17.3.541.108","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bts156"}],"container-title":["Briefings in Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/academic.oup.com\/bib\/article-pdf\/17\/3\/541\/6689382\/bbv077.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,30]],"date-time":"2025-05-30T13:07:05Z","timestamp":1748610425000},"score":1,"resource":{"primary":{"URL":"https:\/\/academic.oup.com\/bib\/article-lookup\/doi\/10.1093\/bib\/bbv077"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,9,4]]},"references-count":108,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2016,5,17]]},"published-print":{"date-parts":[[2016,5]]}},"alternative-id":["10.1093\/bib\/bbv077"],"URL":"https:\/\/doi.org\/10.1093\/bib\/bbv077","relation":{},"ISSN":["1467-5463","1477-4054"],"issn-type":[{"value":"1467-5463","type":"print"},{"value":"1477-4054","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,9,4]]}}}