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Volumn 3, Issue MAR, 2015, Pages

Analytical methods in untargeted metabolomics: State of the art in 2015

Author keywords

Data analysis; Integration; Mass spectrometry; Metabolomics; Nuclear magnetic resonance; Pathway analysis; Spectral processing; Untargeted

Indexed keywords


EID: 85039998984     PISSN: None     EISSN: 22964185     Source Type: Journal    
DOI: 10.3389/fbioe.2015.00023     Document Type: Review
Times cited : (525)

References (220)
  • 1
    • 28444495872 scopus 로고    scopus 로고
    • Primary differentiation in the human blastocyst: comparative molecular portraits of inner cell mass and trophectoderm cells
    • Adjaye, J., Huntriss, J., Herwig, R., Benkahla, A., Brink, T. C., Wierling, C., et al. (2005). Primary differentiation in the human blastocyst: comparative molecular portraits of inner cell mass and trophectoderm cells. Stem Cells 23, 1514-1525. doi: 10.1634/stemcells.2005-0113
    • (2005) Stem Cells , vol.23 , pp. 1514-1525
    • Adjaye, J.1    Huntriss, J.2    Herwig, R.3    Benkahla, A.4    Brink, T.C.5    Wierling, C.6
  • 2
    • 33748798478 scopus 로고    scopus 로고
    • Graph-based methods for analysing networks in cell biology
    • Aittokallio, T., and Schwikowski, B. (2006). Graph-based methods for analysing networks in cell biology. Brief. Bioinformatics 7, 243-255. doi:10.1093/bib/bbl022
    • (2006) Brief. Bioinformatics , vol.7 , pp. 243-255
    • Aittokallio, T.1    Schwikowski, B.2
  • 3
    • 53249144283 scopus 로고    scopus 로고
    • PRIMe: a web site that assembles tools for metabolomics and transcriptomics
    • Akiyama, K., Chikayama, E., Yuasa, H., Shimada, Y., Tohge, T., Shinozaki, K., et al. (2008). PRIMe: a web site that assembles tools for metabolomics and transcriptomics. In silico Biol. 8, 339-345.
    • (2008) In silico Biol , vol.8 , pp. 339-345
    • Akiyama, K.1    Chikayama, E.2    Yuasa, H.3    Shimada, Y.4    Tohge, T.5    Shinozaki, K.6
  • 4
    • 0032231766 scopus 로고    scopus 로고
    • Multiple phenotype modeling in gene-mapping studies of quantitative traits: power advantages
    • Allison, D. B., Thiel, B., Jean, P. St., Elston, R. C., Infante, M. C., and Schork, N. J. (1998). Multiple phenotype modeling in gene-mapping studies of quantitative traits: power advantages. Am. J. Hum. Genet. 63, 1190-1201. doi:10.1086/302038
    • (1998) Am. J. Hum. Genet , vol.63 , pp. 1190-1201
    • Allison, D.B.1    Thiel, B.2    Jean, P.S.3    Elston, R.C.4    Infante, M.C.5    Schork, N.J.6
  • 5
    • 79954462033 scopus 로고    scopus 로고
    • AStream: an R package for annotating LC/MS metabolomic data
    • Alonso, A., Julià, A., Beltran, A., Vinaixa, M., Díaz, M., Ibañez, L., et al. (2011). AStream: an R package for annotating LC/MS metabolomic data. Bioinformatics 27, 1339-1340. doi:10.1093/bioinformatics/btr138
    • (2011) Bioinformatics , vol.27 , pp. 1339-1340
    • Alonso, A.1    Julià, A.2    Beltran, A.3    Vinaixa, M.4    Díaz, M.5    Ibañez, L.6
  • 6
    • 84892760312 scopus 로고    scopus 로고
    • Focus: a robust workflow for one-dimensional NMR spectral analysis
    • Alonso, A., Rodríguez, M. A., Vinaixa, M., Tortosa, R., Correig, X., Julià, A., et al. (2013). Focus: a robust workflow for one-dimensional NMR spectral analysis. Anal. Chem. 86, 1160-1169. doi:10.1021/ac403110u
    • (2013) Anal. Chem , vol.86 , pp. 1160-1169
    • Alonso, A.1    Rodríguez, M.A.2    Vinaixa, M.3    Tortosa, R.4    Correig, X.5    Julià, A.6
  • 7
    • 79957464825 scopus 로고    scopus 로고
    • Dynamic adaptive binning: an improved quantification technique for NMR spectroscopic data
    • Anderson, P., Mahle, D., Doom, T., Reo, N., Delraso, N., and Raymer, M. (2011). Dynamic adaptive binning: an improved quantification technique for NMR spectroscopic data. Metabolomics 7, 179-190. doi:10.1007/s11306-010-0242-7
    • (2011) Metabolomics , vol.7 , pp. 179-190
    • Anderson, P.1    Mahle, D.2    Doom, T.3    Reo, N.4    Delraso, N.5    Raymer, M.6
  • 8
    • 51649116786 scopus 로고    scopus 로고
    • Gaussian binning: a new kernel-based method for processing NMR spectroscopic data for metabolomics
    • Anderson, P., Reo, N., Delraso, N., Doom, T., and Raymer, M. (2008). Gaussian binning: a new kernel-based method for processing NMR spectroscopic data for metabolomics. Metabolomics 4, 261-272. doi:10.1007/s11306-008-0117-3
    • (2008) Metabolomics , vol.4 , pp. 261-272
    • Anderson, P.1    Reo, N.2    Delraso, N.3    Doom, T.4    Raymer, M.5
  • 9
    • 84889591862 scopus 로고    scopus 로고
    • Metabolomics in cancer biomarker discovery: current trends and future perspectives
    • Armitage, E. G., and Barbas, C. (2014). Metabolomics in cancer biomarker discovery: current trends and future perspectives. J. Pharm. Biomed. Anal. 87, 1-11. doi:10.1016/j.jpba.2013.08.041
    • (2014) J. Pharm. Biomed. Anal , vol.87 , pp. 1-11
    • Armitage, E.G.1    Barbas, C.2
  • 10
    • 84865128266 scopus 로고    scopus 로고
    • A Bayesian model of NMR spectra for the deconvolution and quantification of metabolites in complex biological mixtures
    • Astle, W., De Iorio, M., Richardson, S., Stephens, D., and Ebbels, T. (2012). A Bayesian model of NMR spectra for the deconvolution and quantification of metabolites in complex biological mixtures. J. Am. Stat. Assoc. 107, 1259-1271. doi:10.1093/bioinformatics/bts308
    • (2012) J. Am. Stat. Assoc , vol.107 , pp. 1259-1271
    • Astle, W.1    De Iorio, M.2    Richardson, S.3    Stephens, D.4    Ebbels, T.5
  • 12
    • 0001677717 scopus 로고
    • Controlling the false discovery rate: a practical and powerful approach to multiple testing
    • Benjamini, Y., and Hochberg, Y. (1995). Controlling the false discovery rate: a practical and powerful approach to multiple testing. J. R. Soc. Series B Stat. Methodol. 57, 289-300.
    • (1995) J. R. Soc. Series B Stat. Methodol , vol.57 , pp. 289-300
    • Benjamini, Y.1    Hochberg, Y.2
  • 15
    • 84868563961 scopus 로고    scopus 로고
    • TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database
    • Bingol, K., Zhang, F., Bruschweiler-Li, L., and Brüschweiler, R. (2012). TOCCATA: a customized carbon total correlation spectroscopy NMR metabolomics database. Anal. Chem. 84, 9395-9401. doi:10.1021/ac302197e
    • (2012) Anal. Chem , vol.84 , pp. 9395-9401
    • Bingol, K.1    Zhang, F.2    Bruschweiler-Li, L.3    Brüschweiler, R.4
  • 16
    • 77957770453 scopus 로고    scopus 로고
    • MetDAT: a modular and workflow-based free online pipeline for mass spectrometry data processing, analysis and interpretation
    • Biswas, A., Mynampati, K. C., Umashankar, S., Reuben, S., Parab, G., Rao, R., et al. (2010). MetDAT: a modular and workflow-based free online pipeline for mass spectrometry data processing, analysis and interpretation. Bioinformatics 26, 2639-2640. doi:10.1093/bioinformatics/btq436
    • (2010) Bioinformatics , vol.26 , pp. 2639-2640
    • Biswas, A.1    Mynampati, K.C.2    Umashankar, S.3    Reuben, S.4    Parab, G.5    Rao, R.6
  • 17
    • 84881503559 scopus 로고    scopus 로고
    • Integration of transcriptomics and metabonomics: improving diagnostics, biomarker identification and phenotyping in ulcerative colitis
    • Bjerrum, J., Rantalainen, M., Wang, Y., Olsen, J., and Nielsen, O. (2014). Integration of transcriptomics and metabonomics: improving diagnostics, biomarker identification and phenotyping in ulcerative colitis. Metabolomics 10, 280-290. doi:10.1007/s11306-013-0580-3
    • (2014) Metabolomics , vol.10 , pp. 280-290
    • Bjerrum, J.1    Rantalainen, M.2    Wang, Y.3    Olsen, J.4    Nielsen, O.5
  • 18
    • 0003730947 scopus 로고
    • Principles of nuclear magnetic resonance microscopy
    • £25. Magn. Reson. Chem. 33, 322-322
    • Blümich, B., and Callaghan, P. T. (1995). Principles of nuclear magnetic resonance microscopy. Oxford University Press, Oxford, 1993, 492 pp, £25. ISBN 0 198 53997 5. Magn. Reson. Chem. 33, 322-322. doi:10.1002/mrc.1260330417
    • (1995) Oxford University Press, Oxford , vol.1993 , pp. 492
    • Blümich, B.1    Callaghan, P.T.2
  • 19
    • 78649681933 scopus 로고    scopus 로고
    • Merging transcriptomics and metabolomics-advances in breast cancer profiling
    • Borgan, E., Sitter, B., Lingjaerde, O., Johnsen, H., Lundgren, S., Bathen, T., et al. (2010). Merging transcriptomics and metabolomics-advances in breast cancer profiling. BMC Cancer 10:628. doi:10.1186/1471-2407-10-628
    • (2010) BMC Cancer , vol.10 , pp. 628
    • Borgan, E.1    Sitter, B.2    Lingjaerde, O.3    Johnsen, H.4    Lundgren, S.5    Bathen, T.6
  • 20
    • 79954545526 scopus 로고    scopus 로고
    • An introduction to biological nuclear magnetic resonance spectroscopy
    • Bothwell, J. H., and Griffin, J. L. (2011). An introduction to biological nuclear magnetic resonance spectroscopy. Biol. Rev. Camb. Philos. Soc. 86, 493-510. doi:10.1111/j.1469-185X.2010.00157.x
    • (2011) Biol. Rev. Camb. Philos. Soc , vol.86 , pp. 493-510
    • Bothwell, J.H.1    Griffin, J.L.2
  • 22
    • 33845870439 scopus 로고    scopus 로고
    • Conservation of the metabolomic response to starvation across two divergent microbes
    • Brauer, M. J., Yuan, J., Bennett, B. D., Lu, W., Kimball, E., Botstein, D., et al. (2006). Conservation of the metabolomic response to starvation across two divergent microbes. Proc. Natl. Acad. Sci. U.S.A. 103, 19302-19307. doi:10.1073/pnas.0609508103
    • (2006) Proc. Natl. Acad. Sci. U.S.A , vol.103 , pp. 19302-19307
    • Brauer, M.J.1    Yuan, J.2    Bennett, B.D.3    Lu, W.4    Kimball, E.5    Botstein, D.6
  • 23
    • 18344396568 scopus 로고    scopus 로고
    • Minimum information about a microarray experiment (MIAME)-toward standards for microarray data
    • Brazma, A., Hingamp, P., Quackenbush, J., Sherlock, G., Spellman, P., Stoeckert, C., et al. (2001). Minimum information about a microarray experiment (MIAME)-toward standards for microarray data. Nat. Genet. 29, 365-371. doi:10.1038/ng1201-365
    • (2001) Nat. Genet , vol.29 , pp. 365-371
    • Brazma, A.1    Hingamp, P.2    Quackenbush, J.3    Sherlock, G.4    Spellman, P.5    Stoeckert, C.6
  • 24
    • 84898639050 scopus 로고    scopus 로고
    • Principal component analysis
    • Bro, R., and Smilde, A. K. (2014). Principal component analysis. Anal. Methods 6, 2812-2831. doi:10.1039/c3ay41907j
    • (2014) Anal. Methods , vol.6 , pp. 2812-2831
    • Bro, R.1    Smilde, A.K.2
  • 25
    • 33846240326 scopus 로고    scopus 로고
    • Statistical strategies for avoiding false discoveries in metabolomics and related experiments
    • Broadhurst, D., and Kell, D. (2006). Statistical strategies for avoiding false discoveries in metabolomics and related experiments. Metabolomics 2, 171-196. doi:10.1007/s11306-006-0037-z
    • (2006) Metabolomics , vol.2 , pp. 171-196
    • Broadhurst, D.1    Kell, D.2
  • 27
    • 34249335649 scopus 로고    scopus 로고
    • OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification
    • Bylesjö, M., Rantalainen, M., Cloarec, O., Nicholson, J. K., Holmes, E., and Trygg, J. (2006). OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification. J. Chemom. 20, 341-351. doi:10.1002/cem.1006
    • (2006) J. Chemom , vol.20 , pp. 341-351
    • Bylesjö, M.1    Rantalainen, M.2    Cloarec, O.3    Nicholson, J.K.4    Holmes, E.5    Trygg, J.6
  • 28
    • 20344365760 scopus 로고    scopus 로고
    • The origin of correlations in metabolomics data
    • Camacho, D., De La Fuente, A., and Mendes, P. (2005). The origin of correlations in metabolomics data. Metabolomics 1, 53-63. doi:10.1007/s11306-005-1107-3
    • (2005) Metabolomics , vol.1 , pp. 53-63
    • Camacho, D.1    De La Fuente, A.2    Mendes, P.3
  • 29
    • 77955396600 scopus 로고    scopus 로고
    • The Metabolome Express Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets
    • Carroll, A., Badger, M., and Harvey Millar, A. (2010). The Metabolome Express Project: enabling web-based processing, analysis and transparent dissemination of GC/MS metabolomics datasets. BMC Bioinformatics 11:376. doi:10.1186/1471-2105-11-376
    • (2010) BMC Bioinformatics , vol.11 , pp. 376
    • Carroll, A.1    Badger, M.2    Harvey Millar, A.3
  • 30
    • 38549117301 scopus 로고    scopus 로고
    • The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases
    • Caspi, R., Foerster, H., Fulcher, C. A., Kaipa, P., Krummenacker, M., Latendresse, M., et al. (2008). The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res. 36, D623-D631. doi:10.1093/nar/gkm900
    • (2008) Nucleic Acids Res , vol.36 , pp. D623-D631
    • Caspi, R.1    Foerster, H.2    Fulcher, C.A.3    Kaipa, P.4    Krummenacker, M.5    Latendresse, M.6
  • 31
    • 77956328401 scopus 로고    scopus 로고
    • Metabolic profiling and the metabolome-wide association study: significance level for biomarker identification
    • Chadeau-Hyam, M., Ebbels, T. M. D., Brown, I. J., Chan, Q., Stamler, J., Huang, C. C., et al. (2010). Metabolic profiling and the metabolome-wide association study: significance level for biomarker identification. J. Proteome Res. 9, 4620-4627. doi:10.1021/pr1003449
    • (2010) J. Proteome Res , vol.9 , pp. 4620-4627
    • Chadeau-Hyam, M.1    Ebbels, T.M.D.2    Brown, I.J.3    Chan, Q.4    Stamler, J.5    Huang, C.C.6
  • 32
    • 84900326121 scopus 로고    scopus 로고
    • Genomic signatures of specialized metabolism in plants
    • Chae, L., Kim, T., Nilo-Poyanco, R., and Rhee, S. Y. (2014). Genomic signatures of specialized metabolism in plants. Science 344, 510-513. doi:10.1126/science.1252076
    • (2014) Science , vol.344 , pp. 510-513
    • Chae, L.1    Kim, T.2    Nilo-Poyanco, R.3    Rhee, S.Y.4
  • 33
    • 84858433310 scopus 로고    scopus 로고
    • Personal omics profiling reveals dynamic molecular and medical phenotypes
    • Chen, R., Mias, G. I., Li-Pook-Than, J., Jiang, L., Lam, H. Y., Chen, R., et al. (2012). Personal omics profiling reveals dynamic molecular and medical phenotypes. Cell 148, 1293-1307. doi:10.1016/j.cell.2012.02.009
    • (2012) Cell , vol.148 , pp. 1293-1307
    • Chen, R.1    Mias, G.I.2    Li-Pook-Than, J.3    Jiang, L.4    Lam, H.Y.5    Chen, R.6
  • 34
    • 79959194193 scopus 로고    scopus 로고
    • Deconvolution of two-dimensional NMR spectra by fast maximum likelihood reconstruction: application to quantitative metabolomics
    • Chylla, R. A., Hu, K., Ellinger, J. J., and Markley, J. L. (2011). Deconvolution of two-dimensional NMR spectra by fast maximum likelihood reconstruction: application to quantitative metabolomics. Anal. Chem. 83, 4871-4880. doi:10.1021/ac200536b
    • (2011) Anal. Chem , vol.83 , pp. 4871-4880
    • Chylla, R.A.1    Hu, K.2    Ellinger, J.J.3    Markley, J.L.4
  • 35
    • 61449094729 scopus 로고    scopus 로고
    • Alignment using variable penalty dynamic time warping
    • Clifford, D., Stone, G., Montoliu, I., Rezzi, S., Martin, F.-P., Guy, P., et al. (2009). Alignment using variable penalty dynamic time warping. Anal. Chem. 81, 1000-1007. doi:10.1021/ac802041e
    • (2009) Anal. Chem , vol.81 , pp. 1000-1007
    • Clifford, D.1    Stone, G.2    Montoliu, I.3    Rezzi, S.4    Martin, F.-P.5    Guy, P.6
  • 36
    • 77954253893 scopus 로고    scopus 로고
    • MetExplore: a web server to link metabolomic experiments and genome-scale metabolic networks
    • Cottret, L., Wildridge, D., Vinson, F., Barrett, M. P., Charles, H., Sagot, M.-F., et al. (2010). MetExplore: a web server to link metabolomic experiments and genome-scale metabolic networks. Nucleic Acids Res. 38, W132-W137. doi:10.1093/nar/gkq312
    • (2010) Nucleic Acids Res , vol.38 , pp. W132-W137
    • Cottret, L.1    Wildridge, D.2    Vinson, F.3    Barrett, M.P.4    Charles, H.5    Sagot, M.-F.6
  • 37
    • 33645663178 scopus 로고    scopus 로고
    • Scaling and normalization effects in NMR spectroscopic metabonomic data sets
    • Craig, A., Cloarec, O., Holmes, E., Nicholson, J. K., and Lindon, J. C. (2006). Scaling and normalization effects in NMR spectroscopic metabonomic data sets. Anal. Chem. 78, 2262-2267. doi:10.1021/ac0519312
    • (2006) Anal. Chem , vol.78 , pp. 2262-2267
    • Craig, A.1    Cloarec, O.2    Holmes, E.3    Nicholson, J.K.4    Lindon, J.C.5
  • 38
    • 38949178155 scopus 로고    scopus 로고
    • Metabolite identification via the Madison metabolomics consortium database
    • Cui, Q., Lewis, I. A., Hegeman, A. D., Anderson, M. E., Li, J., Schulte, C. F., et al. (2008). Metabolite identification via the Madison metabolomics consortium database. Nat. Biotechnol. 26, 162-164. doi:10.1038/nbt0208-162
    • (2008) Nat. Biotechnol , vol.26 , pp. 162-164
    • Cui, Q.1    Lewis, I.A.2    Hegeman, A.D.3    Anderson, M.E.4    Li, J.5    Schulte, C.F.6
  • 39
    • 43949089850 scopus 로고    scopus 로고
    • NMR-based characterization of metabolic alterations in hypertension using an adaptive, intelligent binning algorithm
    • De Meyer, T., Sinnaeve, D., Van Gasse, B., Tsiporkova, E., Rietzschel, E. R., De Buyzere, M. L., et al. (2008). NMR-based characterization of metabolic alterations in hypertension using an adaptive, intelligent binning algorithm. Anal. Chem. 80, 3783-3790. doi:10.1021/ac7025964
    • (2008) Anal. Chem , vol.80 , pp. 3783-3790
    • De Meyer, T.1    Sinnaeve, D.2    Van Gasse, B.3    Tsiporkova, E.4    Rietzschel, E.R.5    De Buyzere, M.L.6
  • 40
    • 84871952176 scopus 로고    scopus 로고
    • Improved whole-chromosome phasing for disease and population genetic studies
    • Delaneau, O., Zagury, J.-F., and Marchini, J. (2013). Improved whole-chromosome phasing for disease and population genetic studies. Nat. Methods 10, 5-6. doi:10.1038/nmeth.2307
    • (2013) Nat. Methods , vol.10 , pp. 5-6
    • Delaneau, O.1    Zagury, J.-F.2    Marchini, J.3
  • 41
    • 84859190557 scopus 로고    scopus 로고
    • Genome-wide association study identifies novel loci associated with circulating phospho-and sphingolipid concentrations
    • Demirkan, A., Van Duijn, C. M., Ugocsai, P., Isaacs, A., Pramstaller, P. P., Liebisch, G., et al. (2012). Genome-wide association study identifies novel loci associated with circulating phospho-and sphingolipid concentrations. PLoS Genet. 8:e1002490. doi:10.1371/journal.pgen.1002490
    • (2012) PLoS Genet , vol.8
    • Demirkan, A.1    Van Duijn, C.M.2    Ugocsai, P.3    Isaacs, A.4    Pramstaller, P.P.5    Liebisch, G.6
  • 42
    • 6144280234 scopus 로고
    • Fast and precise automatic baseline correction of one-and two-dimensional NMR spectra
    • Dietrich, W., Rüdel, C. H., and Neumann, M. (1991). Fast and precise automatic baseline correction of one-and two-dimensional NMR spectra. J. Magn. Reson. (1969) 91, 1-11. doi:10.1016/0022-2364(91)90402-F
    • (1991) J. Magn. Reson. (1969) , vol.91 , pp. 1-11
    • Dietrich, W.1    Rüdel, C.H.2    Neumann, M.3
  • 43
    • 33748659203 scopus 로고    scopus 로고
    • Improved peak detection in mass spectrum by incorporating continuous wavelet transform-based pattern matching
    • Du, P., Kibbe, W. A., and Lin, S. M. (2006). Improved peak detection in mass spectrum by incorporating continuous wavelet transform-based pattern matching. Bioinformatics 22, 2059-2065. doi:10.1093/bioinformatics/btl355
    • (2006) Bioinformatics , vol.22 , pp. 2059-2065
    • Du, P.1    Kibbe, W.A.2    Lin, S.M.3
  • 44
    • 84902168951 scopus 로고    scopus 로고
    • Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectives
    • Du, X., and Zeisel, S. H. (2013). Spectral deconvolution for gas chromatography mass spectrometry-based metabolomics: current status and future perspectives. Comput. Struct. Biotechnol. J. 4, e201301013. doi:10.5936/csbj.201301013
    • (2013) Comput. Struct. Biotechnol. J , vol.4
    • Du, X.1    Zeisel, S.H.2
  • 45
    • 60849139395 scopus 로고    scopus 로고
    • GOrilla: a tool for discovery and visualization of enriched GO terms in ranked gene lists
    • Eden, E., Navon, R., Steinfeld, I., Lipson, D., and Yakhini, Z. (2009). GOrilla: a tool for discovery and visualization of enriched GO terms in ranked gene lists. BMC Bioinformatics 10:48. doi:10.1186/1471-2105-10-48
    • (2009) BMC Bioinformatics , vol.10 , pp. 48
    • Eden, E.1    Navon, R.2    Steinfeld, I.3    Lipson, D.4    Yakhini, Z.5
  • 46
    • 0347758340 scopus 로고    scopus 로고
    • Parametric time warping
    • Eilers, P. H. C. (2003). Parametric time warping. Anal. Chem. 76, 404-411. doi:10.1021/ac034800e
    • (2003) Anal. Chem , vol.76 , pp. 404-411
    • Eilers, P.H.C.1
  • 47
    • 62349087945 scopus 로고    scopus 로고
    • Mass spectrometry, review of the basics: electrospray, MALDI, and commonly used mass analyzers
    • El-Aneed, A., Cohen, A., and Banoub, J. (2009). Mass spectrometry, review of the basics: electrospray, MALDI, and commonly used mass analyzers. Appl. Spectrosc. Rev. 44, 210-230. doi:10.1080/05704920902717872
    • (2009) Appl. Spectrosc. Rev , vol.44 , pp. 210-230
    • El-Aneed, A.1    Cohen, A.2    Banoub, J.3
  • 48
    • 84912525352 scopus 로고    scopus 로고
    • Databases and software for NMR-based metabolomics
    • Ellinger, J. J., Chylla, R. A., Ulrich, E. L., and Markley, J. L. (2013). Databases and software for NMR-based metabolomics. Curr. Metabolomics 1, 28-40. doi:10.2174/2213235X11301010028
    • (2013) Curr. Metabolomics , vol.1 , pp. 28-40
    • Ellinger, J.J.1    Chylla, R.A.2    Ulrich, E.L.3    Markley, J.L.4
  • 49
    • 84903699923 scopus 로고    scopus 로고
    • An R package to analyse LC/MS metabolomic data: MAIT (metabolite automatic identification toolkit)
    • Fernández-Albert, F., Llorach, R., Andrés-Lacueva, C., and Perera, A. (2014). An R package to analyse LC/MS metabolomic data: MAIT (metabolite automatic identification toolkit). Bioinformatics 30, 1937-1939. doi:10.1093/bioinformatics/btu136
    • (2014) Bioinformatics , vol.30 , pp. 1937-1939
    • Fernández-Albert, F.1    Llorach, R.2    Andrés-Lacueva, C.3    Perera, A.4
  • 50
    • 58049204427 scopus 로고    scopus 로고
    • A multivariate test of association
    • Ferreira, M. A., and Purcell, S. M. (2009). A multivariate test of association. Bioinformatics 25, 132-133. doi:10.1093/bioinformatics/btn563
    • (2009) Bioinformatics , vol.25 , pp. 132-133
    • Ferreira, M.A.1    Purcell, S.M.2
  • 52
    • 33748081440 scopus 로고    scopus 로고
    • A special issue on data standards
    • Field, D., and Sansone, S.-A. (2006). A special issue on data standards. OMICS 10, 84-93. doi:10.1089/omi.2006.10.84
    • (2006) OMICS , vol.10 , pp. 84-93
    • Field, D.1    Sansone, S.-A.2
  • 53
    • 78650666244 scopus 로고    scopus 로고
    • The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping
    • Fonville, J. M., Richards, S. E., Barton, R. H., Boulange, C. L., Ebbels, T. M. D., Nicholson, J. K., et al. (2010). The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping. J. Chemom. 24, 636-649. doi:10.1002/cem.1359
    • (2010) J. Chemom , vol.24 , pp. 636-649
    • Fonville, J.M.1    Richards, S.E.2    Barton, R.H.3    Boulange, C.L.4    Ebbels, T.M.D.5    Nicholson, J.K.6
  • 54
    • 0038121709 scopus 로고    scopus 로고
    • Peak alignment of NMR signals by means of a genetic algorithm
    • Forshed, J., Schuppe-Koistinen, I., and Jacobsson, S. P. (2003). Peak alignment of NMR signals by means of a genetic algorithm. Anal. Chim. Acta 487, 189-199. doi:10.1016/S0003-2670(03)00570-1
    • (2003) Anal. Chim. Acta , vol.487 , pp. 189-199
    • Forshed, J.1    Schuppe-Koistinen, I.2    Jacobsson, S.P.3
  • 55
    • 84906861310 scopus 로고    scopus 로고
    • High-throughput discovery metabolomics
    • Fuhrer, T., and Zamboni, N. (2015). High-throughput discovery metabolomics. Curr. Opin. Biotechnol. 31, 73-78. doi:10.1016/j.copbio.2014.08.006
    • (2015) Curr. Opin. Biotechnol , vol.31 , pp. 73-78
    • Fuhrer, T.1    Zamboni, N.2
  • 56
    • 84878437630 scopus 로고    scopus 로고
    • Recent progress in the development of metabolome databases for plant systems biology
    • Fukushima, A., and Kusano, M. (2013). Recent progress in the development of metabolome databases for plant systems biology. Front. Plant Sci. 4:73. doi:10.3389/fpls.2013.00073
    • (2013) Front. Plant Sci , vol.4 , pp. 73
    • Fukushima, A.1    Kusano, M.2
  • 58
    • 77951969442 scopus 로고    scopus 로고
    • MetScape: a Cytoscape plug-in for visualizing and interpreting metabolomic data in the context of human metabolic networks
    • Gao, J., Tarcea, V. G., Karnovsky, A., Mirel, B. R., Weymouth, T. E., Beecher, C. W., et al. (2010). MetScape: a Cytoscape plug-in for visualizing and interpreting metabolomic data in the context of human metabolic networks. Bioinformatics 26, 971-973. doi:10.1093/bioinformatics/btq048
    • (2010) Bioinformatics , vol.26 , pp. 971-973
    • Gao, J.1    Tarcea, V.G.2    Karnovsky, A.3    Mirel, B.R.4    Weymouth, T.E.5    Beecher, C.W.6
  • 59
    • 78650572031 scopus 로고    scopus 로고
    • Paintomics: a web based tool for the joint visualization of transcriptomics and metabolomics data
    • García-Alcalde, F., García-López, F., Dopazo, J., and Conesa, A. (2011). Paintomics: a web based tool for the joint visualization of transcriptomics and metabolomics data. Bioinformatics 27, 137-139. doi:10.1093/bioinformatics/btq594
    • (2011) Bioinformatics , vol.27 , pp. 137-139
    • García-Alcalde, F.1    García-López, F.2    Dopazo, J.3    Conesa, A.4
  • 61
    • 84920837030 scopus 로고    scopus 로고
    • Metabolomics as a tool in nutritional research
    • Gibbons, H., O'gorman, A., and Brennan, L. (2015). Metabolomics as a tool in nutritional research. Curr. Opin. Lipidol. 26, 30-34. doi:10.1097/MOL.0000000000000140
    • (2015) Curr. Opin. Lipidol , vol.26 , pp. 30-34
    • Gibbons, H.1    O'gorman, A.2    Brennan, L.3
  • 62
    • 57149114936 scopus 로고    scopus 로고
    • Genetics meets metabolomics: a genome-wide association study of metabolite profiles in human serum
    • Gieger, C., Geistlinger, L., Altmaier, E., Hrabé De Angelis, M., Kronenberg, F., Meitinger, T., et al. (2008). Genetics meets metabolomics: a genome-wide association study of metabolite profiles in human serum. PLoS Genet. 4:e1000282. doi:10.1371/journal.pgen.1000282
    • (2008) PLoS Genet , vol.4
    • Gieger, C.1    Geistlinger, L.2    Altmaier, E.3    Hrabé De Angelis, M.4    Kronenberg, F.5    Meitinger, T.6
  • 63
    • 84889567618 scopus 로고    scopus 로고
    • Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics
    • Gika, H. G., Theodoridis, G. A., Plumb, R. S., and Wilson, I. D. (2014). Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics. J. Pharm. Biomed. Anal. 87, 12-25. doi:10.1016/j.jpba.2013.06.032
    • (2014) J. Pharm. Biomed. Anal , vol.87 , pp. 12-25
    • Gika, H.G.1    Theodoridis, G.A.2    Plumb, R.S.3    Wilson, I.D.4
  • 64
    • 41949086183 scopus 로고    scopus 로고
    • Liquid chromatography and ultra-performance liquid chromatography-mass spectrometry fingerprinting of human urine: sample stability under different handling and storage conditions for metabonomics studies
    • Gika, H. G., Theodoridis, G. A., and Wilson, I. D. (2008). Liquid chromatography and ultra-performance liquid chromatography-mass spectrometry fingerprinting of human urine: sample stability under different handling and storage conditions for metabonomics studies. J. Chromatogr. A 1189, 314-322. doi:10.1016/j.chroma.2007.10.066
    • (2008) J. Chromatogr. A , vol.1189 , pp. 314-322
    • Gika, H.G.1    Theodoridis, G.A.2    Wilson, I.D.3
  • 65
    • 78649334547 scopus 로고    scopus 로고
    • Alignment of high resolution magic angle spinning magnetic resonance spectra using warping methods
    • Giskeødegård, G. F., Bloemberg, T. G., Postma, G., Sitter, B., Tessem, M.-B., Gribbestad, I. S., et al. (2010). Alignment of high resolution magic angle spinning magnetic resonance spectra using warping methods. Anal. Chim. Acta 683, 1-11. doi:10.1016/j.aca.2010.09.026
    • (2010) Anal. Chim. Acta , vol.683 , pp. 1-11
    • Giskeødegård, G.F.1    Bloemberg, T.G.2    Postma, G.3    Sitter, B.4    Tessem, M.-B.5    Gribbestad, I.S.6
  • 66
    • 0345832338 scopus 로고    scopus 로고
    • A global test for groups of genes: testing association with a clinical outcome
    • Goeman, J. J., Van De Geer, S. A., De Kort, F., and Van Houwelingen, H. C. (2004). A global test for groups of genes: testing association with a clinical outcome. Bioinformatics 20, 93-99. doi:10.1093/bioinformatics/btg382
    • (2004) Bioinformatics , vol.20 , pp. 93-99
    • Goeman, J.J.1    Van De Geer, S.A.2    De Kort, F.3    Van Houwelingen, H.C.4
  • 67
    • 84903714301 scopus 로고    scopus 로고
    • Phenotypic mapping of metabolic profiles using self-organizing maps of high-dimensional mass spectrometry data
    • Goodwin, C. R., Sherrod, S. D., Marasco, C. C., Bachmann, B. O., Schramm-Sapyta, N., Wikswo, J. P., et al. (2014). Phenotypic mapping of metabolic profiles using self-organizing maps of high-dimensional mass spectrometry data. Anal. Chem. 86, 6563-6571. doi:10.1021/ac5010794
    • (2014) Anal. Chem , vol.86 , pp. 6563-6571
    • Goodwin, C.R.1    Sherrod, S.D.2    Marasco, C.C.3    Bachmann, B.O.4    Schramm-Sapyta, N.5    Wikswo, J.P.6
  • 68
    • 84865144924 scopus 로고    scopus 로고
    • BATMAN-an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model
    • Hao, J., Astle, W., De Iorio, M., and Ebbels, T. M. D. (2012). BATMAN-an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model. Bioinformatics 28, 2088-2090. doi:10.1093/bioinformatics/bts308
    • (2012) Bioinformatics , vol.28 , pp. 2088-2090
    • Hao, J.1    Astle, W.2    De Iorio, M.3    Ebbels, T.M.D.4
  • 69
    • 84901829627 scopus 로고    scopus 로고
    • Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra using BATMAN
    • Hao, J., Liebeke, M., Astle, W., De Iorio, M., Bundy, J. G., and Ebbels, T. M. D. (2014). Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra using BATMAN. Nat. Protoc. 9, 1416-1427. doi:10.1038/nprot.2014.090
    • (2014) Nat. Protoc , vol.9 , pp. 1416-1427
    • Hao, J.1    Liebeke, M.2    Astle, W.3    De Iorio, M.4    Bundy, J.G.5    Ebbels, T.M.D.6
  • 70
    • 84876560030 scopus 로고    scopus 로고
    • MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data
    • Haug, K., Salek, R. M., Conesa, P., Hastings, J., De Matos, P., Rijnbeek, M., et al. (2013). MetaboLights-an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Res. 41, D781-D786. doi:10.1093/nar/gks1004
    • (2013) Nucleic Acids Res , vol.41 , pp. D781-D786
    • Haug, K.1    Salek, R.M.2    Conesa, P.3    Hastings, J.4    De Matos, P.5    Rijnbeek, M.6
  • 71
    • 73449117605 scopus 로고    scopus 로고
    • Genetic determinants of circulating sphingolipid concentrations in European populations
    • Hicks, A. A., Pramstaller, P. P., Johansson, A., Vitart, V., Rudan, I., Ugocsai, P., et al. (2009). Genetic determinants of circulating sphingolipid concentrations in European populations. PLoS Genet. 5:e1000672. doi:10.1371/journal.pgen.1000672
    • (2009) PLoS Genet , vol.5
    • Hicks, A.A.1    Pramstaller, P.P.2    Johansson, A.3    Vitart, V.4    Rudan, I.5    Ugocsai, P.6
  • 72
    • 66149088821 scopus 로고    scopus 로고
    • MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis
    • Hiller, K., Hangebrauk, J., Jäger, C., Spura, J., Schreiber, K., and Schomburg, D. (2009). MetaboliteDetector: comprehensive analysis tool for targeted and nontargeted GC/MS based metabolome analysis. Anal. Chem. 81, 3429-3439. doi:10.1021/ac802689c
    • (2009) Anal. Chem , vol.81 , pp. 3429-3439
    • Hiller, K.1    Hangebrauk, J.2    Jäger, C.3    Spura, J.4    Schreiber, K.5    Schomburg, D.6
  • 73
    • 77954439868 scopus 로고    scopus 로고
    • MassBank: a public repository for sharing mass spectral data for life sciences
    • Horai, H., Arita, M., Kanaya, S., Nihei, Y., Ikeda, T., Suwa, K., et al. (2010). MassBank: a public repository for sharing mass spectral data for life sciences. J. Mass Spectrom. 45, 703-714. doi:10.1002/jms.1777
    • (2010) J. Mass Spectrom , vol.45 , pp. 703-714
    • Horai, H.1    Arita, M.2    Kanaya, S.3    Nihei, Y.4    Ikeda, T.5    Suwa, K.6
  • 74
    • 67651222400 scopus 로고    scopus 로고
    • A flexible and accurate genotype imputation method for the next generation of genome-wide association studies
    • Howie, B. N., Donnelly, P., and Marchini, J. (2009). A flexible and accurate genotype imputation method for the next generation of genome-wide association studies. PLoS Genet. 5:e1000529. doi:10.1371/journal.pgen.1000529
    • (2009) PLoS Genet , vol.5
    • Howie, B.N.1    Donnelly, P.2    Marchini, J.3
  • 75
    • 34548841428 scopus 로고    scopus 로고
    • 'The Golm Metabolome Database: a database for GC-MS based metabolite profiling,'
    • eds J. Nielsen and M. Jewett (Berlin: Springer)
    • Hummel, J., Selbig, J., Walther, D., and Kopka, J. (2007). "The Golm Metabolome Database: a database for GC-MS based metabolite profiling," in Metabolomics, eds J. Nielsen and M. Jewett (Berlin: Springer), 75-95.
    • (2007) Metabolomics , pp. 75-95
    • Hummel, J.1    Selbig, J.2    Walther, D.3    Kopka, J.4
  • 76
    • 37549057612 scopus 로고    scopus 로고
    • GlobalANCOVA: exploration and assessment of gene group effects
    • Hummel, M., Meister, R., and Mansmann, U. (2008). GlobalANCOVA: exploration and assessment of gene group effects. Bioinformatics 24, 78-85. doi:10.1093/bioinformatics/btm531
    • (2008) Bioinformatics , vol.24 , pp. 78-85
    • Hummel, M.1    Meister, R.2    Mansmann, U.3
  • 77
    • 75749134031 scopus 로고    scopus 로고
    • A genome-wide perspective of genetic variation in human metabolism
    • Illig, T., Gieger, C., Zhai, G., Romisch-Margl, W., Wang-Sattler, R., Prehn, C., et al. (2010). A genome-wide perspective of genetic variation in human metabolism. Nat. Genet. 42, 137-141. doi:10.1038/ng.507
    • (2010) Nat. Genet , vol.42 , pp. 137-141
    • Illig, T.1    Gieger, C.2    Zhai, G.3    Romisch-Margl, W.4    Wang-Sattler, R.5    Prehn, C.6
  • 78
    • 84866156922 scopus 로고    scopus 로고
    • Novel loci for metabolic networks and multi-tissue expression studies reveal genes for atherosclerosis
    • Inouye, M., Ripatti, S., Kettunen, J., Lyytikäinen, L.-P., Oksala, N., Laurila, P.-P., et al. (2012). Novel loci for metabolic networks and multi-tissue expression studies reveal genes for atherosclerosis. PLoS Genet. 8:e1002907. doi:10.1371/journal.pgen.1002907
    • (2012) PLoS Genet , vol.8
    • Inouye, M.1    Ripatti, S.2    Kettunen, J.3    Lyytikäinen, L.-P.4    Oksala, N.5    Laurila, P.-P.6
  • 79
    • 84878313362 scopus 로고    scopus 로고
    • An efficient spectra processing method for metabolite identification from 1H-NMR metabolomics data
    • Jacob, D., Deborde, C., and Moing, A. (2013). An efficient spectra processing method for metabolite identification from 1H-NMR metabolomics data. Anal. Bioanal. Chem. 405, 5049-5061. doi:10.1007/s00216-013-6852-y
    • (2013) Anal. Bioanal. Chem , vol.405 , pp. 5049-5061
    • Jacob, D.1    Deborde, C.2    Moing, A.3
  • 80
    • 84891787534 scopus 로고    scopus 로고
    • SMPDB 2.0: big improvements to the small molecule pathway database
    • Jewison, T., Su, Y., Disfany, F. M., Liang, Y., Knox, C., Maciejewski, A., et al. (2014). SMPDB 2.0: big improvements to the small molecule pathway database. Nucleic Acids Res. 42, D478-D484. doi:10.1093/nar/gkt1067
    • (2014) Nucleic Acids Res , vol.42 , pp. D478-D484
    • Jewison, T.1    Su, Y.2    Disfany, F.M.3    Liang, Y.4    Knox, C.5    Maciejewski, A.6
  • 81
    • 84883254647 scopus 로고    scopus 로고
    • Comparisons of five algorithms for chromatogram alignment
    • Jiang, W., Zhang, Z.-M., Yun, Y., Zhan, D.-J., Zheng, Y.-B., Liang, Y.-Z., et al. (2013). Comparisons of five algorithms for chromatogram alignment. Chromatographia 76, 1067-1078. doi:10.1007/s10337-013-2513-8
    • (2013) Chromatographia , vol.76 , pp. 1067-1078
    • Jiang, W.1    Zhang, Z.-M.2    Yun, Y.3    Zhan, D.-J.4    Zheng, Y.-B.5    Liang, Y.-Z.6
  • 82
    • 84908046888 scopus 로고    scopus 로고
    • Metabolomics in rheumatic diseases
    • Julià, A., Alonso, A., and Marsal, S. (2014). Metabolomics in rheumatic diseases. Int. J. Clin. Rheumatol. 9, 353-369. doi:10.2217/ijr.14.25
    • (2014) Int. J. Clin. Rheumatol , vol.9 , pp. 353-369
    • Julià, A.1    Alonso, A.2    Marsal, S.3
  • 83
    • 25144463543 scopus 로고    scopus 로고
    • Sample size for FDR-control in microarray data analysis
    • Jung, S.-H. (2005). Sample size for FDR-control in microarray data analysis. Bioinformatics 21, 3097-3104. doi:10.1093/bioinformatics/bti456
    • (2005) Bioinformatics , vol.21 , pp. 3097-3104
    • Jung, S.-H.1
  • 84
    • 41149162296 scopus 로고    scopus 로고
    • Metabolomics: a global biochemical approach to drug response and disease
    • Kaddurah-Daouk, R., Kristal, B. S., and Weinshilboum, R. M. (2008). Metabolomics: a global biochemical approach to drug response and disease. Annu. Rev. Pharmacol. Toxicol. 48, 653-683. doi:10.1146/annurev.pharmtox.48.113006.094715
    • (2008) Annu. Rev. Pharmacol. Toxicol , vol.48 , pp. 653-683
    • Kaddurah-Daouk, R.1    Kristal, B.S.2    Weinshilboum, R.M.3
  • 85
    • 80053976986 scopus 로고    scopus 로고
    • Integrated pathway-level analysis of transcriptomics and metabolomics data with IMPaLA
    • Kamburov, A., Cavill, R., Ebbels, T. M. D., Herwig, R., and Keun, H. C. (2011). Integrated pathway-level analysis of transcriptomics and metabolomics data with IMPaLA. Bioinformatics 27, 2917-2918. doi:10.1093/bioinformatics/btr499
    • (2011) Bioinformatics , vol.27 , pp. 2917-2918
    • Kamburov, A.1    Cavill, R.2    Ebbels, T.M.D.3    Herwig, R.4    Keun, H.C.5
  • 86
    • 84858983547 scopus 로고    scopus 로고
    • KEGG for integration and interpretation of large-scale molecular data sets
    • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., and Tanabe, M. (2012). KEGG for integration and interpretation of large-scale molecular data sets. Nucleic Acids Res. 40, D109-D114. doi:10.1093/nar/gkr988
    • (2012) Nucleic Acids Res , vol.40 , pp. D109-D114
    • Kanehisa, M.1    Goto, S.2    Sato, Y.3    Furumichi, M.4    Tanabe, M.5
  • 87
    • 72249120196 scopus 로고    scopus 로고
    • Analysis of time course 1H NMR metabolomics data by multivariate curve resolution
    • Karakach, T. K., Knight, R., Lenz, E. M., Viant, M. R., and Walter, J. A. (2009). Analysis of time course 1H NMR metabolomics data by multivariate curve resolution. Magn. Reson. Chem. 47, S105-S117. doi:10.1002/mrc.2535
    • (2009) Magn. Reson. Chem , vol.47 , pp. S105-S117
    • Karakach, T.K.1    Knight, R.2    Lenz, E.M.3    Viant, M.R.4    Walter, J.A.5
  • 88
    • 84856562561 scopus 로고    scopus 로고
    • MetScape 2 bioinformatics tool for the analysis and visualization of metabolomics and gene expression data
    • Karnovsky, A., Weymouth, T., Hull, T., Tarcea, V. G., Scardoni, G., Laudanna, C., et al. (2012). MetScape 2 bioinformatics tool for the analysis and visualization of metabolomics and gene expression data. Bioinformatics 28, 373-380. doi:10.1093/bioinformatics/btr661
    • (2012) Bioinformatics , vol.28 , pp. 373-380
    • Karnovsky, A.1    Weymouth, T.2    Hull, T.3    Tarcea, V.G.4    Scardoni, G.5    Laudanna, C.6
  • 90
    • 84895918390 scopus 로고    scopus 로고
    • Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery
    • Kell, D. B., and Goodacre, R. (2014). Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery. Drug Discov. Today 19, 171-182. doi:10.1016/j.drudis.2013.07.014
    • (2014) Drug Discov. Today , vol.19 , pp. 171-182
    • Kell, D.B.1    Goodacre, R.2
  • 91
    • 0029888347 scopus 로고    scopus 로고
    • Discriminant analysis of high-dimensional data: a comparison of principal components analysis and partial least squares data reduction methods
    • Kemsley, E. K. (1996). Discriminant analysis of high-dimensional data: a comparison of principal components analysis and partial least squares data reduction methods. Chemometr. Intell. Lab. Syst. 33, 47-61. doi:10.1186/1471-2105-10-213
    • (1996) Chemometr. Intell. Lab. Syst , vol.33 , pp. 47-61
    • Kemsley, E.K.1
  • 92
    • 84857648463 scopus 로고    scopus 로고
    • Genome-wide association study identifies multiple loci influencing human serum metabolite levels
    • Kettunen, J., Tukiainen, T., Sarin, A.-P., Ortega-Alonso, A., Tikkanen, E., Lyytikainen, L.-P., et al. (2012). Genome-wide association study identifies multiple loci influencing human serum metabolite levels. Nat. Genet. 44, 269-276. doi:10.1038/ng.1073
    • (2012) Nat. Genet , vol.44 , pp. 269-276
    • Kettunen, J.1    Tukiainen, T.2    Sarin, A.-P.3    Ortega-Alonso, A.4    Tikkanen, E.5    Lyytikainen, L.-P.6
  • 93
    • 84861123691 scopus 로고    scopus 로고
    • Ten years of pathway analysis: current approaches and outstanding challenges
    • Khatri, P., Sirota, M., and Butte, A. J. (2012). Ten years of pathway analysis: current approaches and outstanding challenges. PLoS Comput. Biol. 8:e1002375. doi:10.1371/journal.pcbi.1002375
    • (2012) PLoS Comput. Biol , vol.8
    • Khatri, P.1    Sirota, M.2    Butte, A.J.3
  • 94
    • 77952928641 scopus 로고    scopus 로고
    • Multivariate classification of urine metabolome profiles for breast cancer diagnosis
    • Kim, Y., Koo, I., Jung, B. H., Chung, B. C., and Lee, D. (2010). Multivariate classification of urine metabolome profiles for breast cancer diagnosis. BMC Bioinformatics 11:S4. doi:10.1186/1471-2105-11-S2-S4
    • (2010) BMC Bioinformatics , vol.11 , pp. S4
    • Kim, Y.1    Koo, I.2    Jung, B.H.3    Chung, B.C.4    Lee, D.5
  • 95
    • 38149020685 scopus 로고    scopus 로고
    • Pleiotropy and principal components of heritability combine to increase power for association analysis
    • Klei, L., Luca, D., Devlin, B., and Roeder, K. (2008). Pleiotropy and principal components of heritability combine to increase power for association analysis. Genet. Epidemiol. 32, 9-19. doi:10.1002/gepi.20257
    • (2008) Genet. Epidemiol , vol.32 , pp. 9-19
    • Klei, L.1    Luca, D.2    Devlin, B.3    Roeder, K.4
  • 96
    • 84860359421 scopus 로고    scopus 로고
    • State-of-the art data normalization methods improve NMR-based metabolomic analysis
    • Kohl, S., Klein, M., Hochrein, J., Oefner, P., Spang, R., and Gronwald, W. (2012). State-of-the art data normalization methods improve NMR-based metabolomic analysis. Metabolomics 8, 146-160. doi:10.1007/s11306-011-0350-z
    • (2012) Metabolomics , vol.8 , pp. 146-160
    • Kohl, S.1    Klein, M.2    Hochrein, J.3    Oefner, P.4    Spang, R.5    Gronwald, W.6
  • 98
    • 67651056502 scopus 로고    scopus 로고
    • Meta-analysis of 28,141 individuals identifies common variants within five new loci that influence uric acid concentrations
    • Kolz, M., Johnson, T., Sanna, S., Teumer, A., Vitart, V., Perola, M., et al. (2009). Meta-analysis of 28,141 individuals identifies common variants within five new loci that influence uric acid concentrations. PLoS Genet. 5:e1000504. doi:10.1371/journal.pgen.1000504
    • (2009) PLoS Genet , vol.5
    • Kolz, M.1    Johnson, T.2    Sanna, S.3    Teumer, A.4    Vitart, V.5    Perola, M.6
  • 99
    • 84886083861 scopus 로고    scopus 로고
    • A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions
    • Kotze, H., Armitage, E., Sharkey, K., Allwood, J., Dunn, W., Williams, K., et al. (2013). A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions. BMC Syst. Biol. 7:107. doi:10.1186/1752-0509-7-107
    • (2013) BMC Syst. Biol , vol.7 , pp. 107
    • Kotze, H.1    Armitage, E.2    Sharkey, K.3    Allwood, J.4    Dunn, W.5    Williams, K.6
  • 100
    • 84868112190 scopus 로고    scopus 로고
    • Mining the unknown: a systems approach to metabolite identification combining genetic and metabolic information
    • Krumsiek, J., Suhre, K., Evans, A. M., Mitchell, M. W., Mohney, R. P., Milburn, M. V., et al. (2012). Mining the unknown: a systems approach to metabolite identification combining genetic and metabolic information. PLoS Genet. 8:e1003005. doi:10.1371/journal.pgen.1003005
    • (2012) PLoS Genet , vol.8
    • Krumsiek, J.1    Suhre, K.2    Evans, A.M.3    Mitchell, M.W.4    Mohney, R.P.5    Milburn, M.V.6
  • 101
    • 79251567361 scopus 로고    scopus 로고
    • Gaussian graphical modeling reconstructs pathway reactions from high-throughput metabolomics data
    • Krumsiek, J., Suhre, K., Illig, T., Adamski, J., and Theis, F. (2011). Gaussian graphical modeling reconstructs pathway reactions from high-throughput metabolomics data. BMC Syst. Biol. 5:21. doi:10.1186/1752-0509-5-21
    • (2011) BMC Syst. Biol , vol.5 , pp. 21
    • Krumsiek, J.1    Suhre, K.2    Illig, T.3    Adamski, J.4    Theis, F.5
  • 102
    • 84855402302 scopus 로고    scopus 로고
    • CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets
    • Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, T. R., and Neumann, S. (2011). CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets. Anal. Chem. 84, 283-289. doi:10.1021/ac202450g
    • (2011) Anal. Chem , vol.84 , pp. 283-289
    • Kuhl, C.1    Tautenhahn, R.2    Böttcher, C.3    Larson, T.R.4    Neumann, S.5
  • 103
    • 84929272685 scopus 로고    scopus 로고
    • 'Metabolomics in animal breeding,'
    • ed. K. Suhre (New York, NY: Springer)
    • Kühn, C. (2012). "Metabolomics in animal breeding," in Genetics Meets Metabolomics, ed. K. Suhre (New York, NY: Springer), 107-123.
    • (2012) Genetics Meets Metabolomics , pp. 107-123
    • Kühn, C.1
  • 104
    • 84880335552 scopus 로고    scopus 로고
    • 3Omics: a web-based systems biology tool for analysis, integration and visualization of human transcriptomic, proteomic and metabolomic data
    • Kuo, T.-C., Tian, T.-F., and Tseng, Y. (2013). 3Omics: a web-based systems biology tool for analysis, integration and visualization of human transcriptomic, proteomic and metabolomic data. BMC Syst. Biol. 7:64. doi:10.1186/1752-0509-7-64
    • (2013) BMC Syst. Biol , vol.7 , pp. 64
    • Kuo, T.-C.1    Tian, T.-F.2    Tseng, Y.3
  • 105
    • 60549111634 scopus 로고    scopus 로고
    • WGCNA: an R package for weighted correlation network analysis
    • Langfelder, P., and Horvath, S. (2008). WGCNA: an R package for weighted correlation network analysis. BMC Bioinformatics 9:559. doi:10.1186/1471-2105-9-559
    • (2008) BMC Bioinformatics , vol.9 , pp. 559
    • Langfelder, P.1    Horvath, S.2
  • 106
    • 2442621332 scopus 로고    scopus 로고
    • Beam search for peak alignment of NMR signals
    • Lee, G.-C., and Woodruff, D. L. (2004). Beam search for peak alignment of NMR signals. Anal. Chim. Acta 513, 413-416. doi:10.1016/j.aca.2004.02.068
    • (2004) Anal. Chim. Acta , vol.513 , pp. 413-416
    • Lee, G.-C.1    Woodruff, D.L.2
  • 107
    • 72249113406 scopus 로고    scopus 로고
    • rNMR: open source software for identifying and quantifying metabolites in NMR spectra
    • Lewis, I. A., Schommer, S. C., and Markley, J. L. (2009). rNMR: open source software for identifying and quantifying metabolites in NMR spectra. Magn. Reson. Chem. 47, S123-S126. doi:10.1002/mrc.2526
    • (2009) Magn. Reson. Chem , vol.47 , pp. S123-S126
    • Lewis, I.A.1    Schommer, S.C.2    Markley, J.L.3
  • 108
    • 84864071589 scopus 로고    scopus 로고
    • MetAlign 3.0: performance enhancement by efficient use of advances in computer hardware
    • Lommen, A., and Kools, H. (2012). MetAlign 3.0: performance enhancement by efficient use of advances in computer hardware. Metabolomics 8, 719-726. doi:10.1007/s11306-011-0369-1
    • (2012) Metabolomics , vol.8 , pp. 719-726
    • Lommen, A.1    Kools, H.2
  • 109
    • 84855888813 scopus 로고    scopus 로고
    • 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)
    • Ludwig, C., Easton, J., Lodi, A., Tiziani, S., Manzoor, S., Southam, A., et al. (2012). 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). Metabolomics 8, 8-18. doi:10.1007/s11306-011-0347-7
    • (2012) Metabolomics , vol.8 , pp. 8-18
    • Ludwig, C.1    Easton, J.2    Lodi, A.3    Tiziani, S.4    Manzoor, S.5    Southam, A.6
  • 110
    • 80052654387 scopus 로고    scopus 로고
    • MetaboLab-advanced NMR data processing and analysis for metabolomics
    • Ludwig, C., and Gunther, U. (2011). MetaboLab-advanced NMR data processing and analysis for metabolomics. BMC Bioinformatics 12:366. doi:10.1186/1471-2105-12-366
    • (2011) BMC Bioinformatics , vol.12 , pp. 366
    • Ludwig, C.1    Gunther, U.2
  • 111
    • 77952238401 scopus 로고    scopus 로고
    • A tutorial on support vector machine-based methods for classification problems in chemometrics
    • Luts, J., Ojeda, F., Van De Plas, R., De Moor, B., Van Huffel, S., and Suykens, J. A. (2010). A tutorial on support vector machine-based methods for classification problems in chemometrics. Anal. Chim. Acta 665, 129-145. doi:10.1016/j.aca.2010.03.030
    • (2010) Anal. Chim. Acta , vol.665 , pp. 129-145
    • Luts, J.1    Ojeda, F.2    Van De Plas, R.3    De Moor, B.4    Van Huffel, S.5    Suykens, J.A.6
  • 112
    • 34548860112 scopus 로고    scopus 로고
    • The Edinburgh human metabolic network reconstruction and its functional analysis
    • Ma, H., Sorokin, A., Mazein, A., Selkov, A., Selkov, E., Demin, O., et al. (2007). The Edinburgh human metabolic network reconstruction and its functional analysis. Mol. Syst. Biol. 3, 135. doi:10.1038/msb4100177
    • (2007) Mol. Syst. Biol , vol.3 , pp. 135
    • Ma, H.1    Sorokin, A.2    Mazein, A.3    Selkov, A.4    Selkov, E.5    Demin, O.6
  • 113
    • 72549095180 scopus 로고    scopus 로고
    • Chemometrics in metabolomics-A review in human disease diagnosis
    • Madsen, R., Lundstedt, T., and Trygg, J. (2010). Chemometrics in metabolomics-A review in human disease diagnosis. Anal. Chim. Acta 659, 23-33. doi:10.1016/j.aca.2009.11.042
    • (2010) Anal. Chim. Acta , vol.659 , pp. 23-33
    • Madsen, R.1    Lundstedt, T.2    Trygg, J.3
  • 114
    • 54749109964 scopus 로고    scopus 로고
    • Analysis of metabolomic data using support vector machines
    • Mahadevan, S., Shah, S. L., Marrie, T. J., and Slupsky, C. M. (2008). Analysis of metabolomic data using support vector machines. Anal. Chem. 80, 7562-7570. doi:10.1021/ac800954c
    • (2008) Anal. Chem , vol.80 , pp. 7562-7570
    • Mahadevan, S.1    Shah, S.L.2    Marrie, T.J.3    Slupsky, C.M.4
  • 115
    • 39149126959 scopus 로고    scopus 로고
    • 1H NMR metabonomics approach to the disease continuum of diabetic complications and premature death
    • Mäkinen, V.-P., Soininen, P., Forsblom, C., Parkkonen, M., Ingman, P., Kaski, K., et al. (2008). 1H NMR metabonomics approach to the disease continuum of diabetic complications and premature death. Mol. Syst. Biol. 4, 167. doi:10.1038/msb4100205
    • (2008) Mol. Syst. Biol , vol.4 , pp. 167
    • Mäkinen, V.-P.1    Soininen, P.2    Forsblom, C.3    Parkkonen, M.4    Ingman, P.5    Kaski, K.6
  • 116
    • 79251595354 scopus 로고    scopus 로고
    • The role of metabolites and metabolomics in clinically applicable biomarkers of disease
    • Mamas, M., Dunn, W., Neyses, L., and Goodacre, R. (2011). The role of metabolites and metabolomics in clinically applicable biomarkers of disease. Arch. Toxicol. 85, 5-17. doi:10.1007/s00204-010-0609-6
    • (2011) Arch. Toxicol , vol.85 , pp. 5-17
    • Mamas, M.1    Dunn, W.2    Neyses, L.3    Goodacre, R.4
  • 117
    • 84887083603 scopus 로고    scopus 로고
    • An introduction to biological NMR spectroscopy
    • Marion, D. (2013). An introduction to biological NMR spectroscopy. Mol. Cell Proteomics 12, 3006-3025. doi:10.1074/mcp. O113.030239
    • (2013) Mol. Cell Proteomics , vol.12 , pp. 3006-3025
    • Marion, D.1
  • 118
    • 78649703782 scopus 로고    scopus 로고
    • Chemometric strategy for modeling metabolic biological space along the gastrointestinal tract and assessing microbial influences
    • Martin, F. O.-P. J., Montoliu, I., Kochhar, S., and Rezzi, S. (2010). Chemometric strategy for modeling metabolic biological space along the gastrointestinal tract and assessing microbial influences. Anal. Chem. 82, 9803-9811. doi:10.1021/ac102015n
    • (2010) Anal. Chem , vol.82 , pp. 9803-9811
    • Martin, F.O.-P.J.1    Montoliu, I.2    Kochhar, S.3    Rezzi, S.4
  • 119
    • 42349112088 scopus 로고    scopus 로고
    • Genome-wide association studies for complex traits: consensus, uncertainty and challenges
    • McCarthy, M. I., Abecasis, G. R., Cardon, L. R., Goldstein, D. B., Little, J., Ioannidis, J. P. A., et al. (2008). Genome-wide association studies for complex traits: consensus, uncertainty and challenges. Nat. Rev. Genet. 9, 356-369. doi:10.1038/nrg2344
    • (2008) Nat. Rev. Genet , vol.9 , pp. 356-369
    • McCarthy, M.I.1    Abecasis, G.R.2    Cardon, L.R.3    Goldstein, D.B.4    Little, J.5    Ioannidis, J.P.A.6
  • 120
    • 47949129868 scopus 로고    scopus 로고
    • Metabolite-based clustering and visualization of mass spectrometry data using one-dimensional self-organizing maps
    • Meinicke, P., Lingner, T., Kaever, A., Feussner, K., Göbel, C., Feussner, I., et al. (2008). Metabolite-based clustering and visualization of mass spectrometry data using one-dimensional self-organizing maps. Algorithms Mol. Biol. 3, 1-18. doi:10.1186/1748-7188-3-9
    • (2008) Algorithms Mol. Biol , vol.3 , pp. 1-18
    • Meinicke, P.1    Lingner, T.2    Kaever, A.3    Feussner, K.4    Göbel, C.5    Feussner, I.6
  • 121
    • 78649695759 scopus 로고    scopus 로고
    • Metabolomic analysis and visualization engine for LC-MS data
    • Melamud, E., Vastag, L., and Rabinowitz, J. D. (2010). Metabolomic analysis and visualization engine for LC-MS data. Anal. Chem. 82, 9818-9826. doi:10.1021/ac1021166
    • (2010) Anal. Chem , vol.82 , pp. 9818-9826
    • Melamud, E.1    Vastag, L.2    Rabinowitz, J.D.3
  • 122
    • 79958766718 scopus 로고    scopus 로고
    • Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
    • Mercier, P., Lewis, M., Chang, D., Baker, D., and Wishart, D. (2011). Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra. J. Biomol. NMR 49, 307-323. doi:10.1007/s10858-011-9480-x
    • (2011) J. Biomol. NMR , vol.49 , pp. 307-323
    • Mercier, P.1    Lewis, M.2    Chang, D.3    Baker, D.4    Wishart, D.5
  • 124
    • 66749183356 scopus 로고    scopus 로고
    • Multivariate modeling strategy for intercompartmental analysis of tissue and plasma 1H NMR spectrotypes
    • Montoliu, I., Martin, F.-P. J., Collino, S., Rezzi, S., and Kochhar, S. (2009). Multivariate modeling strategy for intercompartmental analysis of tissue and plasma 1H NMR spectrotypes. J. Proteome Res. 8, 2397-2406. doi:10.1021/pr8010205
    • (2009) J. Proteome Res , vol.8 , pp. 2397-2406
    • Montoliu, I.1    Martin, F.-P.J.2    Collino, S.3    Rezzi, S.4    Kochhar, S.5
  • 125
    • 84864070819 scopus 로고    scopus 로고
    • A network-based feature selection approach to identify metabolic signatures in disease
    • Netzer, M., Kugler, K. G., Müller, L. A., Weinberger, K. M., Graber, A., Baumgartner, C., et al. (2012). A network-based feature selection approach to identify metabolic signatures in disease. J. Theor. Biol. 310, 216-222. doi:10.1016/j.jtbi.2012.06.003
    • (2012) J. Theor. Biol , vol.310 , pp. 216-222
    • Netzer, M.1    Kugler, K.G.2    Müller, L.A.3    Weinberger, K.M.4    Graber, A.5    Baumgartner, C.6
  • 126
    • 84870542109 scopus 로고    scopus 로고
    • Profiling the human response to physical exercise: a computational strategy for the identification and kinetic analysis of metabolic biomarkers
    • Netzer, M., Weinberger, K., Handler, M., Seger, M., Fang, X., Kugler, K., et al. (2011). Profiling the human response to physical exercise: a computational strategy for the identification and kinetic analysis of metabolic biomarkers. J. Clin. Bioinforma. 1, 34. doi:10.1186/2043-9113-1-34
    • (2011) J. Clin. Bioinforma , vol.1 , pp. 34
    • Netzer, M.1    Weinberger, K.2    Handler, M.3    Seger, M.4    Fang, X.5    Kugler, K.6
  • 127
    • 84864612115 scopus 로고    scopus 로고
    • ADAP-GC 2.0: deconvolution of coeluting metabolites from GC/TOF-MS data for metabolomics studies
    • Ni, Y., Qiu, Y., Jiang, W., Suttlemyre, K., Su, M., Zhang, W., et al. (2012). ADAP-GC 2.0: deconvolution of coeluting metabolites from GC/TOF-MS data for metabolomics studies. Anal. Chem. 84, 6619-6629. doi:10.1021/ac300898h
    • (2012) Anal. Chem , vol.84 , pp. 6619-6629
    • Ni, Y.1    Qiu, Y.2    Jiang, W.3    Suttlemyre, K.4    Su, M.5    Zhang, W.6
  • 128
    • 80053456207 scopus 로고    scopus 로고
    • A genome-wide metabolic QTL analysis in Europeans implicates two loci shaped by recent positive selection
    • Nicholson, G., Rantalainen, M., Li, J. V., Maher, A. D., Malmodin, D., Ahmadi, K. R., et al. (2011). A genome-wide metabolic QTL analysis in Europeans implicates two loci shaped by recent positive selection. PLoS Genet. 7:e1002270. doi:10.1371/journal.pgen.1002270
    • (2011) PLoS Genet , vol.7
    • Nicholson, G.1    Rantalainen, M.2    Li, J.V.3    Maher, A.D.4    Malmodin, D.5    Ahmadi, K.R.6
  • 130
    • 84916234611 scopus 로고    scopus 로고
    • Comparative evaluation of eight software programs for alignment of gas chromatography-mass spectrometry chromatograms in metabolomics experiments
    • Niu, W., Knight, E., Xia, Q., and McGarvey, B. D. (2014). Comparative evaluation of eight software programs for alignment of gas chromatography-mass spectrometry chromatograms in metabolomics experiments. J. Chromatogr. A 1374, 199-206. doi:10.1016/j.chroma.2014.11.005
    • (2014) J. Chromatogr. A , vol.1374 , pp. 199-206
    • Niu, W.1    Knight, E.2    Xia, Q.3    McGarvey, B.D.4
  • 131
    • 84860473457 scopus 로고    scopus 로고
    • MultiPhen: joint model of multiple phenotypes can increase discovery in GWAS
    • O'reilly, P. F., Hoggart, C. J., Pomyen, Y., Calboli, F. C. F., Elliott, P., Jarvelin, M.-R., et al. (2012). MultiPhen: joint model of multiple phenotypes can increase discovery in GWAS. PLoS ONE 7:e34861. doi:10.1371/journal.pone.0034861
    • (2012) PLoS ONE , vol.7
    • O'reilly, P.F.1    Hoggart, C.J.2    Pomyen, Y.3    Calboli, F.C.F.4    Elliott, P.5    Jarvelin, M.-R.6
  • 132
    • 70449726556 scopus 로고    scopus 로고
    • Metabolomics, a novel tool for studies of nutrition, metabolism and lipid dysfunction
    • Orešic, M. (2009). Metabolomics, a novel tool for studies of nutrition, metabolism and lipid dysfunction. Nutr. Metab. Cardiovasc. Dis. 19, 816-824. doi:10.1016/j.numecd.2009.04.018
    • (2009) Nutr. Metab. Cardiovasc. Dis , vol.19 , pp. 816-824
    • Orešic, M.1
  • 133
    • 84858790233 scopus 로고    scopus 로고
    • Innovation: metabolomics: the apogee of the omics trilogy
    • Patti, G. J., Yanes, O., and Siuzdak, G. (2012). Innovation: metabolomics: the apogee of the omics trilogy. Nat. Rev. Mol. Cell Biol. 13, 263-269. doi:10.1038/nrm3314
    • (2012) Nat. Rev. Mol. Cell Biol , vol.13 , pp. 263-269
    • Patti, G.J.1    Yanes, O.2    Siuzdak, G.3
  • 134
    • 34250630053 scopus 로고    scopus 로고
    • Comparison of different multiway methods for the analysis of geographical metal distributions in fish, sediments and river waters in Catalonia
    • Peré-Trepat, E., Ginebreda, A., and Tauler, R. (2007). Comparison of different multiway methods for the analysis of geographical metal distributions in fish, sediments and river waters in Catalonia. Chemometr. Intell. Lab. Syst. 88, 69-83. doi:10.1016/j.chemolab.2006.09.009
    • (2007) Chemometr. Intell. Lab. Syst , vol.88 , pp. 69-83
    • Peré-Trepat, E.1    Ginebreda, A.2    Tauler, R.3
  • 135
    • 84897372328 scopus 로고    scopus 로고
    • Epigenetics meets metabolomics: an epigenome-wide association study with blood serum metabolic traits
    • Petersen, A.-K., Zeilinger, S., Kastenmüller, G., Römisch-Margl, W., Brugger, M., Peters, A., et al. (2014). Epigenetics meets metabolomics: an epigenome-wide association study with blood serum metabolic traits. Hum. Mol. Genet. 23, 534-545. doi:10.1093/hmg/ddt430
    • (2014) Hum. Mol. Genet , vol.23 , pp. 534-545
    • Petersen, A.-K.1    Zeilinger, S.2    Kastenmüller, G.3    Römisch-Margl, W.4    Brugger, M.5    Peters, A.6
  • 136
    • 77954772536 scopus 로고    scopus 로고
    • MZmine 2, modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
    • Pluskal, T., Castillo, S., Villar-Briones, A., and Oresic, M. (2010). MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data. BMC Bioinformatics 11:395. doi:10.1186/1471-2105-11-395
    • (2010) BMC Bioinformatics , vol.11 , pp. 395
    • Pluskal, T.1    Castillo, S.2    Villar-Briones, A.3    Oresic, M.4
  • 138
    • 84878175510 scopus 로고    scopus 로고
    • Current metabolomics: technological advances
    • Putri, S. P., Yamamoto, S., Tsugawa, H., and Fukusaki, E. (2013). Current metabolomics: technological advances. J. Biosci. Bioeng. 116, 9-16. doi:10.1016/j.jbiosc.2013.01.004
    • (2013) J. Biosci. Bioeng , vol.116 , pp. 9-16
    • Putri, S.P.1    Yamamoto, S.2    Tsugawa, H.3    Fukusaki, E.4
  • 139
    • 84907876491 scopus 로고    scopus 로고
    • Plant metabolomics and metabolic biology
    • Qi, X., and Zhang, D. (2014). Plant metabolomics and metabolic biology. J. Integr. Plant Biol. 56, 814-815. doi:10.1111/jipb.12247
    • (2014) J. Integr. Plant Biol , vol.56 , pp. 814-815
    • Qi, X.1    Zhang, D.2
  • 140
    • 84915809442 scopus 로고    scopus 로고
    • Comparison of peak-picking workflows for untargeted liquid chromatography/high-resolution mass spectrometry metabolomics data analysis
    • Rafiei, A., and Sleno, L. (2015). Comparison of peak-picking workflows for untargeted liquid chromatography/high-resolution mass spectrometry metabolomics data analysis. Rapid Commun. Mass Spectrom. 29, 119-127. doi:10.1002/rcm.7094
    • (2015) Rapid Commun. Mass Spectrom , vol.29 , pp. 119-127
    • Rafiei, A.1    Sleno, L.2
  • 141
    • 79951726445 scopus 로고    scopus 로고
    • Standardization of factors that influence human urine metabolomics
    • Rasmussen, L., Savorani, F., Larsen, T., Dragsted, L., Astrup, A., and Engelsen, S. (2011). Standardization of factors that influence human urine metabolomics. Metabolomics 7, 71-83. doi:10.1007/s11306-010-0234-7
    • (2011) Metabolomics , vol.7 , pp. 71-83
    • Rasmussen, L.1    Savorani, F.2    Larsen, T.3    Dragsted, L.4    Astrup, A.5    Engelsen, S.6
  • 143
    • 0037433040 scopus 로고    scopus 로고
    • Identifying differentially expressed genes using false discovery rate controlling procedures
    • Reiner, A., Yekutieli, D., and Benjamini, Y. (2003). Identifying differentially expressed genes using false discovery rate controlling procedures. Bioinformatics 19, 368-375. doi:10.1093/bioinformatics/btf877
    • (2003) Bioinformatics , vol.19 , pp. 368-375
    • Reiner, A.1    Yekutieli, D.2    Benjamini, Y.3
  • 144
    • 0036384102 scopus 로고    scopus 로고
    • NMR-based metabolomics
    • Reo, N. V. (2002). NMR-based metabolomics. Drug Chem. Toxicol. 25, 375-382. doi:10.1081/DCT-120014789
    • (2002) Drug Chem. Toxicol , vol.25 , pp. 375-382
    • Reo, N.V.1
  • 145
    • 84879867981 scopus 로고    scopus 로고
    • A genome-wide association study of the human metabolome in a community-based cohort
    • Rhee, E. P., Ho, J. E., Chen, M. H., Shen, D., Cheng, S., Larson, M. G., et al. (2013). A genome-wide association study of the human metabolome in a community-based cohort. Cell Metab. 18, 130-143. doi:10.1016/j.cmet.2013.06.013
    • (2013) Cell Metab , vol.18 , pp. 130-143
    • Rhee, E.P.1    Ho, J.E.2    Chen, M.H.3    Shen, D.4    Cheng, S.5    Larson, M.G.6
  • 146
    • 84867609628 scopus 로고    scopus 로고
    • PSEA: phenotype set enrichment analysis-a new method for analysis of multiple phenotypes
    • Ried, J. S., Döring, A., Oexle, K., Meisinger, C., Winkelmann, J., Klopp, N., et al. (2012). PSEA: phenotype set enrichment analysis-a new method for analysis of multiple phenotypes. Genet. Epidemiol. 36, 244-252. doi:10.1002/gepi.21617
    • (2012) Genet. Epidemiol , vol.36 , pp. 244-252
    • Ried, J.S.1    Döring, A.2    Oexle, K.3    Meisinger, C.4    Winkelmann, J.5    Klopp, N.6
  • 148
    • 84886649758 scopus 로고    scopus 로고
    • Metabolomics in drug discovery and development
    • Robertson, D. G., and Frevert, U. (2013). Metabolomics in drug discovery and development. Clin. Pharmacol. Ther. 94, 559-561. doi:10.1038/clpt.2013.120
    • (2013) Clin. Pharmacol. Ther , vol.94 , pp. 559-561
    • Robertson, D.G.1    Frevert, U.2
  • 149
    • 79952709519 scopus 로고    scopus 로고
    • pROC: an open-source package for R and S+ to analyze and compare ROC curves
    • Robin, X., Turck, N., Hainard, A., Tiberti, N., Lisacek, F., Sanchez, J.-C., et al. (2011). pROC: an open-source package for R and S+ to analyze and compare ROC curves. BMC Bioinformatics 12:77. doi:10.1186/1471-2105-12-77
    • (2011) BMC Bioinformatics , vol.12 , pp. 77
    • Robin, X.1    Turck, N.2    Hainard, A.3    Tiberti, N.4    Lisacek, F.5    Sanchez, J.-C.6
  • 152
    • 84874251578 scopus 로고    scopus 로고
    • PRIMe update: innovative content for plant metabolomics and integration of gene expression and metabolite accumulation
    • Sakurai, T., Yamada, Y., Sawada, Y., Matsuda, F., Akiyama, K., Shinozaki, K., et al. (2013). PRIMe update: innovative content for plant metabolomics and integration of gene expression and metabolite accumulation. Plant Cell Physiol. 54, e5-e5. doi:10.1093/pcp/pcs184
    • (2013) Plant Cell Physiol , vol.54 , pp. e5-e5
    • Sakurai, T.1    Yamada, Y.2    Sawada, Y.3    Matsuda, F.4    Akiyama, K.5    Shinozaki, K.6
  • 153
    • 85006210853 scopus 로고    scopus 로고
    • The role of reporting standards for metabolite annotation and identification in metabolomic studies
    • Salek, R., Steinbeck, C., Viant, M., Goodacre, R., and Dunn, W. (2013a). The role of reporting standards for metabolite annotation and identification in metabolomic studies. Gigascience 2, 13. doi:10.1186/2047-217X-2-13
    • (2013) Gigascience , vol.2 , pp. 13
    • Salek, R.1    Steinbeck, C.2    Viant, M.3    Goodacre, R.4    Dunn, W.5
  • 155
    • 72449164088 scopus 로고    scopus 로고
    • Icoshift: a versatile tool for the rapid alignment of 1D NMR spectra
    • Savorani, F., Tomasi, G., and Engelsen, S. B. (2010). Icoshift: a versatile tool for the rapid alignment of 1D NMR spectra. J. Magn. Reson. 202, 190-202. doi:10.1016/j.jmr.2009.11.012
    • (2010) J. Magn. Reson , vol.202 , pp. 190-202
    • Savorani, F.1    Tomasi, G.2    Engelsen, S.B.3
  • 156
    • 84861153094 scopus 로고    scopus 로고
    • Matrix eQTL: ultra fast eQTL analysis via large matrix operations
    • Shabalin, A. A. (2012). Matrix eQTL: ultra fast eQTL analysis via large matrix operations. Bioinformatics 28, 1353-1358. doi:10.1093/bioinformatics/bts163
    • (2012) Bioinformatics , vol.28 , pp. 1353-1358
    • Shabalin, A.A.1
  • 158
    • 27544491192 scopus 로고    scopus 로고
    • ROCR: visualizing classifier performance in R
    • Sing, T., Sander, O., Beerenwinkel, N., and Lengauer, T. (2005). ROCR: visualizing classifier performance in R. Bioinformatics 21, 3940-3941. doi:10.1093/bioinformatics/bti623
    • (2005) Bioinformatics , vol.21 , pp. 3940-3941
    • Sing, T.1    Sander, O.2    Beerenwinkel, N.3    Lengauer, T.4
  • 159
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
    • Smith, C. A., Want, E. J., O'maille, G., Abagyan, R., and Siuzdak, G. (2006). XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal. Chem. 78, 779-787. doi:10.1021/ac051437y
    • (2006) Anal. Chem , vol.78 , pp. 779-787
    • Smith, C.A.1    Want, E.J.2    O'maille, G.3    Abagyan, R.4    Siuzdak, G.5
  • 160
    • 79551587720 scopus 로고    scopus 로고
    • Cytoscape 2.8: new features for data integration and network visualization
    • Smoot, M. E., Ono, K., Ruscheinski, J., Wang, P.-L., and Ideker, T. (2011). Cytoscape 2.8: new features for data integration and network visualization. Bioinformatics 27, 431-432. doi:10.1093/bioinformatics/btq675
    • (2011) Bioinformatics , vol.27 , pp. 431-432
    • Smoot, M.E.1    Ono, K.2    Ruscheinski, J.3    Wang, P.-L.4    Ideker, T.5
  • 161
    • 84873960005 scopus 로고    scopus 로고
    • Optimized bucketing for NMR spectra: three case studies
    • Sousa, S. A. A., Magalhães, A., and Ferreira, M. M. C. (2013). Optimized bucketing for NMR spectra: three case studies. Chemometr. Intell. Lab. Syst. 122, 93-102. doi:10.1016/j.chemolab.2013.01.006
    • (2013) Chemometr. Intell. Lab. Syst , vol.122 , pp. 93-102
    • Sousa, S.A.A.1    Magalhães, A.2    Ferreira, M.M.C.3
  • 162
    • 60149091657 scopus 로고    scopus 로고
    • Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression
    • Sreekumar, A., Poisson, L. M., Rajendiran, T. M., Khan, A. P., Cao, Q., Yu, J., et al. (2009). Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature 457, 910-914. doi:10.1038/nature07762
    • (2009) Nature , vol.457 , pp. 910-914
    • Sreekumar, A.1    Poisson, L.M.2    Rajendiran, T.M.3    Khan, A.P.4    Cao, Q.5    Yu, J.6
  • 163
    • 0033452842 scopus 로고    scopus 로고
    • An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data
    • Stein, S. E. (1999). An integrated method for spectrum extraction and compound identification from gas chromatography/mass spectrometry data. J. Am. Soc. Mass Spectrom. 10, 770-781. doi:10.1016/S1044-0305(99)00047-1
    • (1999) J. Am. Soc. Mass Spectrom , vol.10 , pp. 770-781
    • Stein, S.E.1
  • 164
    • 84867223520 scopus 로고    scopus 로고
    • MetaboLights: towards a new COSMOS of metabolomics data management
    • Steinbeck, C., Conesa, P., Haug, K., Mahendraker, T., Williams, M., Maguire, E., et al. (2012). MetaboLights: towards a new COSMOS of metabolomics data management. Metabolomics 8, 757-760. doi:10.1007/s11306-012-0462-0
    • (2012) Metabolomics , vol.8 , pp. 757-760
    • Steinbeck, C.1    Conesa, P.2    Haug, K.3    Mahendraker, T.4    Williams, M.5    Maguire, E.6
  • 165
    • 0344255513 scopus 로고    scopus 로고
    • NMRShiftDB constructing a free chemical information system with open-source components
    • Steinbeck, C., Krause, S., and Kuhn, S. (2003). NMRShiftDB constructing a free chemical information system with open-source components. J. Chem. Inf. Comput. Sci. 43, 1733-1739.
    • (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 1733-1739
    • Steinbeck, C.1    Krause, S.2    Kuhn, S.3
  • 166
    • 84879818733 scopus 로고    scopus 로고
    • A unified framework for association analysis with multiple related phenotypes
    • Stephens, M. (2013). A unified framework for association analysis with multiple related phenotypes. PLoS ONE 8:e65245. doi:10.1371/journal.pone.0065245
    • (2013) PLoS ONE , vol.8
    • Stephens, M.1
  • 167
    • 33748475897 scopus 로고    scopus 로고
    • Review: on the analysis and interpretation of correlations in metabolomic data
    • Steuer, R. (2006). Review: on the analysis and interpretation of correlations in metabolomic data. Brief. Bioinformatics 7, 151-158. doi:10.1093/bib/bbl009
    • (2006) Brief. Bioinformatics , vol.7 , pp. 151-158
    • Steuer, R.1
  • 168
    • 0038281453 scopus 로고    scopus 로고
    • Observing and interpreting correlations in metabolomic networks
    • Steuer, R., Kurths, J., Fiehn, O., and Weckwerth, W. (2003). Observing and interpreting correlations in metabolomic networks. Bioinformatics 19, 1019-1026. doi:10.1093/bioinformatics/btg120
    • (2003) Bioinformatics , vol.19 , pp. 1019-1026
    • Steuer, R.1    Kurths, J.2    Fiehn, O.3    Weckwerth, W.4
  • 171
    • 80052398214 scopus 로고    scopus 로고
    • Human metabolic individuality in biomedical and pharmaceutical research
    • Suhre, K., Shin, S.-Y., Petersen, A.-K., Mohney, R. P., Meredith, D., Wagele, B., et al. (2011a). Human metabolic individuality in biomedical and pharmaceutical research. Nature 477, 54-60. doi:10.1038/nature10354
    • (2011) Nature , vol.477 , pp. 54-60
    • Suhre, K.1    Shin, S.-Y.2    Petersen, A.-K.3    Mohney, R.P.4    Meredith, D.5    Wagele, B.6
  • 172
    • 79957604338 scopus 로고    scopus 로고
    • A genome-wide association study of metabolic traits in human urine
    • Suhre, K., Wallaschofski, H., Raffler, J., Friedrich, N., Haring, R., Michael, K., et al. (2011b). A genome-wide association study of metabolic traits in human urine. Nat. Genet. 43, 565-569. doi:10.1038/ng.837
    • (2011) Nat. Genet , vol.43 , pp. 565-569
    • Suhre, K.1    Wallaschofski, H.2    Raffler, J.3    Friedrich, N.4    Haring, R.5    Michael, K.6
  • 173
    • 34748888866 scopus 로고    scopus 로고
    • Proposed minimum reporting standards for chemical analysis chemical analysis working group (CAWG) metabolomics standards initiative (MSI)
    • Sumner, L. W., Amberg, A., Barrett, D., Beale, M. H., Beger, R., Daykin, C. A., et al. (2007). Proposed minimum reporting standards for chemical analysis chemical analysis working group (CAWG) metabolomics standards initiative (MSI). Metabolomics 3, 211-221. doi:10.1007/s11306-007-0082-2
    • (2007) Metabolomics , vol.3 , pp. 211-221
    • Sumner, L.W.1    Amberg, A.2    Barrett, D.3    Beale, M.H.4    Beger, R.5    Daykin, C.A.6
  • 174
    • 84860386341 scopus 로고    scopus 로고
    • Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies
    • Szymanska, E., Saccenti, E., Smilde, A., and Westerhuis, J. (2012). Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies. Metabolomics 8, 3-16. doi:10.1007/s11306-011-0330-3
    • (2012) Metabolomics , vol.8 , pp. 3-16
    • Szymanska, E.1    Saccenti, E.2    Smilde, A.3    Westerhuis, J.4
  • 175
    • 59249096217 scopus 로고    scopus 로고
    • Genome-wide association study of plasma polyunsaturated fatty acids in the InCHIANTI study
    • Tanaka, T., Shen, J., Abecasis, G. R., Kisialiou, A., Ordovas, J. M., Guralnik, J. M., et al. (2009). Genome-wide association study of plasma polyunsaturated fatty acids in the InCHIANTI study. PLoS Genet. 5:e1000338. doi:10.1371/journal.pgen.1000338
    • (2009) PLoS Genet , vol.5
    • Tanaka, T.1    Shen, J.2    Abecasis, G.R.3    Kisialiou, A.4    Ordovas, J.M.5    Guralnik, J.M.6
  • 176
    • 71849091115 scopus 로고    scopus 로고
    • Notes on the practical utility of OPLS
    • Tapp, H. S., and Kemsley, E. K. (2009). Notes on the practical utility of OPLS. Trends Analyt. Chem. 28, 1322-1327. doi:10.1016/j.trac.2009.08.006
    • (2009) Trends Analyt. Chem , vol.28 , pp. 1322-1327
    • Tapp, H.S.1    Kemsley, E.K.2
  • 177
    • 60649089559 scopus 로고    scopus 로고
    • Highly sensitive feature detection for high resolution LC/MS
    • Tautenhahn, R., Bottcher, C., and Neumann, S. (2008). Highly sensitive feature detection for high resolution LC/MS. BMC Bioinformatics 9:504. doi:10.1186/1471-2105-9-504
    • (2008) BMC Bioinformatics , vol.9 , pp. 504
    • Tautenhahn, R.1    Bottcher, C.2    Neumann, S.3
  • 178
    • 84866123900 scopus 로고    scopus 로고
    • An accelerated workflow for untargeted metabolomics using the METLIN database
    • Tautenhahn, R., Cho, K., Uritboonthai, W., Zhu, Z., Patti, G. J., and Siuzdak, G. (2012a). An accelerated workflow for untargeted metabolomics using the METLIN database. Nat. Biotechnol. 30, 826-828. doi:10.1038/nbt.2348
    • (2012) Nat. Biotechnol , vol.30 , pp. 826-828
    • Tautenhahn, R.1    Cho, K.2    Uritboonthai, W.3    Zhu, Z.4    Patti, G.J.5    Siuzdak, G.6
  • 179
    • 84861915827 scopus 로고    scopus 로고
    • XCMS online: a web-based platform to process untargeted metabolomic data
    • Tautenhahn, R., Patti, G. J., Rinehart, D., and Siuzdak, G. (2012b). XCMS online: a web-based platform to process untargeted metabolomic data. Anal. Chem. 84, 5035-5039. doi:10.1021/ac300698c
    • (2012) Anal. Chem , vol.84 , pp. 5035-5039
    • Tautenhahn, R.1    Patti, G.J.2    Rinehart, D.3    Siuzdak, G.4
  • 180
    • 79952124278 scopus 로고    scopus 로고
    • metaXCMS: second-order analysis of untargeted metabolomics data
    • Tautenhahn, R., Patti, G. J., Kalisiak, E., Miyamoto, T., Schmidt, M., Lo, F. Y., et al. (2010). metaXCMS: second-order analysis of untargeted metabolomics data. Anal. Chem. 83, 696-700. doi:10.1021/ac102980g
    • (2010) Anal. Chem , vol.83 , pp. 696-700
    • Tautenhahn, R.1    Patti, G.J.2    Kalisiak, E.3    Miyamoto, T.4    Schmidt, M.5    Lo, F.Y.6
  • 181
    • 79960495785 scopus 로고    scopus 로고
    • Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies
    • Theodoridis, G., Gika, H. G., and Wilson, I. D. (2011). Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies. Mass Spectrom. Rev. 30, 884-906. doi:10.1002/mas.20306
    • (2011) Mass Spectrom. Rev , vol.30 , pp. 884-906
    • Theodoridis, G.1    Gika, H.G.2    Wilson, I.D.3
  • 182
    • 4444351752 scopus 로고    scopus 로고
    • Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data
    • Tomasi, G., Van Den Berg, F., and Andersson, C. (2004). Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data. J. Chemom 18, 231-241. doi:10.1002/cem.859
    • (2004) J. Chemom , vol.18 , pp. 231-241
    • Tomasi, G.1    Van Den Berg, F.2    Andersson, C.3
  • 183
    • 84887093360 scopus 로고    scopus 로고
    • Reproducibility of metabolomic profiles among men and women in 2 large cohort studies
    • Townsend, M. K., Clish, C. B., Kraft, P., Wu, C., Souza, A. L., Deik, A. A., et al. (2013). Reproducibility of metabolomic profiles among men and women in 2 large cohort studies. Clin. Chem. 59, 1657-1667. doi:10.1373/clinchem.2012.199133
    • (2013) Clin. Chem , vol.59 , pp. 1657-1667
    • Townsend, M.K.1    Clish, C.B.2    Kraft, P.3    Wu, C.4    Souza, A.L.5    Deik, A.A.6
  • 184
    • 0036083139 scopus 로고    scopus 로고
    • Orthogonal projections to latent structures (O-PLS)
    • Trygg, J., and Wold, S. (2002). Orthogonal projections to latent structures (O-PLS). J. Chemom. 16, 119-128. doi:10.1002/cem.695
    • (2002) J. Chemom , vol.16 , pp. 119-128
    • Trygg, J.1    Wold, S.2
  • 185
    • 80053960733 scopus 로고    scopus 로고
    • MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures
    • Tulpan, D., Leger, S., Belliveau, L., Culf, A., and Cuperlovic-Culf, M. (2011). MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures. BMC Bioinformatics 12:400. doi:10.1186/1471-2105-12-400
    • (2011) BMC Bioinformatics , vol.12 , pp. 400
    • Tulpan, D.1    Leger, S.2    Belliveau, L.3    Culf, A.4    Cuperlovic-Culf, M.5
  • 187
    • 80053202843 scopus 로고    scopus 로고
    • A differential network approach to exploring differences between biological states: an application to prediabetes
    • Valcárcel, B., Würtz, P., Seich Al Basatena, N.-K., Tukiainen, T., Kangas, A. J., Soininen, P., et al. (2011). A differential network approach to exploring differences between biological states: an application to prediabetes. PLoS ONE 6:e24702. doi:10.1371/journal.pone.0024702
    • (2011) PLoS ONE , vol.6
    • Valcárcel, B.1    Würtz, P.2    Seich Al Basatena, N.-K.3    Tukiainen, T.4    Kangas, A.J.5    Soininen, P.6
  • 188
    • 46949090611 scopus 로고    scopus 로고
    • Controlling false discoveries in genetic studies
    • Van Den Oord, E. J. C. G. (2008). Controlling false discoveries in genetic studies. Am. J. Med. Genet. B Neuropsychiatr. Genet. 147B, 637-644. doi:10.1002/ajmg.b.30650
    • (2008) Am. J. Med. Genet. B Neuropsychiatr. Genet , vol.147B , pp. 637-644
    • Van Den Oord, E.J.C.G.1
  • 189
    • 33646930668 scopus 로고    scopus 로고
    • A comparison of three algorithms for chromatograms alignment
    • Van Nederkassel, A. M., Daszykowski, M., Eilers, P. H. C., and Heyden, Y. V. (2006). A comparison of three algorithms for chromatograms alignment. J. Chromatogr. A 1118, 199-210. doi:10.1016/j.chroma.2006.03.114
    • (2006) J. Chromatogr. A , vol.1118 , pp. 199-210
    • Van Nederkassel, A.M.1    Daszykowski, M.2    Eilers, P.H.C.3    Heyden, Y.V.4
  • 190
    • 58149477904 scopus 로고    scopus 로고
    • Recursive segment-wise peak alignment of biological 1H NMR spectra for improved metabolic biomarker recovery
    • Veselkov, K. A., Lindon, J. C., Ebbels, T. M. D., Crockford, D., Volynkin, V. V., Holmes, E., et al. (2008). Recursive segment-wise peak alignment of biological 1H NMR spectra for improved metabolic biomarker recovery. Anal. Chem. 81, 56-66. doi:10.1021/ac8011544
    • (2008) Anal. Chem , vol.81 , pp. 56-66
    • Veselkov, K.A.1    Lindon, J.C.2    Ebbels, T.M.D.3    Crockford, D.4    Volynkin, V.V.5    Holmes, E.6
  • 191
    • 84885922460 scopus 로고    scopus 로고
    • A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data
    • Vinaixa, M., Samino, S., Saez, I., Duran, J., Guinovart, J. J., and Yanes, O. (2012). A guideline to univariate statistical analysis for LC/MS-based untargeted metabolomics-derived data. Metabolites 2, 775-795. doi:10.3390/metabo2040775
    • (2012) Metabolites , vol.2 , pp. 775-795
    • Vinaixa, M.1    Samino, S.2    Saez, I.3    Duran, J.4    Guinovart, J.J.5    Yanes, O.6
  • 192
    • 85016502755 scopus 로고    scopus 로고
    • Getting your peaks in line: a review of alignment methods for NMR spectral data
    • Vu, T., and Laukens, K. (2013). Getting your peaks in line: a review of alignment methods for NMR spectral data. Metabolites 3, 259-276. doi:10.3390/metabo3020259
    • (2013) Metabolites , vol.3 , pp. 259-276
    • Vu, T.1    Laukens, K.2
  • 193
    • 80054681091 scopus 로고    scopus 로고
    • An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data
    • Vu, T., Valkenborg, D., Smets, K., Verwaest, K., Dommisse, R., Lemiere, F., et al. (2011). An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data. BMC Bioinformatics 12:405. doi:10.1186/1471-2105-12-405
    • (2011) BMC Bioinformatics , vol.12 , pp. 405
    • Vu, T.1    Valkenborg, D.2    Smets, K.3    Verwaest, K.4    Dommisse, R.5    Lemiere, F.6
  • 194
    • 64549138422 scopus 로고    scopus 로고
    • Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis
    • Wang, T., Shao, K., Chu, Q., Ren, Y., Mu, Y., Qu, L., et al. (2009). Automics: an integrated platform for NMR-based metabonomics spectral processing and data analysis. BMC Bioinformatics 10:83. doi:10.1186/1471-2105-10-83
    • (2009) BMC Bioinformatics , vol.10 , pp. 83
    • Wang, T.1    Shao, K.2    Chu, Q.3    Ren, Y.4    Mu, Y.5    Qu, L.6
  • 195
    • 33847006590 scopus 로고    scopus 로고
    • Recent applications of NMR spectroscopy in plant metabolomics
    • Ward, J. L., Baker, J. M., and Beale, M. H. (2007). Recent applications of NMR spectroscopy in plant metabolomics. FEBS J. 274, 1126-1131. doi:10.1111/j.1742-4658.2007.05675.x
    • (2007) FEBS J , vol.274 , pp. 1126-1131
    • Ward, J.L.1    Baker, J.M.2    Beale, M.H.3
  • 196
    • 33745700438 scopus 로고    scopus 로고
    • Targeted profiling: quantitative analysis of 1H NMR metabolomics data
    • Weljie, A. M., Newton, J., Mercier, P., Carlson, E., and Slupsky, C. M. (2006). Targeted profiling: quantitative analysis of 1H NMR metabolomics data. Anal. Chem. 78, 4430-4442. doi:10.1021/ac060209g
    • (2006) Anal. Chem , vol.78 , pp. 4430-4442
    • Weljie, A.M.1    Newton, J.2    Mercier, P.3    Carlson, E.4    Slupsky, C.M.5
  • 198
    • 62649151803 scopus 로고    scopus 로고
    • Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites
    • Wikoff, W. R., Anfora, A. T., Liu, J., Schultz, P. G., Lesley, S. A., Peters, E. C., et al. (2009). Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites. Proc. Natl. Acad. Sci. U.S.A. 106, 3698-3703. doi:10.1073/pnas.0812874106
    • (2009) Proc. Natl. Acad. Sci. U.S.A , vol.106 , pp. 3698-3703
    • Wikoff, W.R.1    Anfora, A.T.2    Liu, J.3    Schultz, P.G.4    Lesley, S.A.5    Peters, E.C.6
  • 199
    • 72749126091 scopus 로고    scopus 로고
    • Effects of a prolonged standardized diet on normalizing the human metabolome
    • Winnike, J. H., Busby, M. G., Watkins, P. B., and O'connell, T. M. (2009). Effects of a prolonged standardized diet on normalizing the human metabolome. Am. J. Clin. Nutr. 90, 1496-1501. doi:10.3945/ajcn.2009.28234
    • (2009) Am. J. Clin. Nutr , vol.90 , pp. 1496-1501
    • Winnike, J.H.1    Busby, M.G.2    Watkins, P.B.3    O'connell, T.M.4
  • 200
    • 41049096359 scopus 로고    scopus 로고
    • Quantitative metabolomics using NMR
    • Wishart, D. S. (2008). Quantitative metabolomics using NMR. Trends Analyt. Chem. 27, 228-237. doi:10.1016/j.trac.2007.12.001
    • (2008) Trends Analyt. Chem , vol.27 , pp. 228-237
    • Wishart, D.S.1
  • 204
    • 24644467660 scopus 로고    scopus 로고
    • Application of fast Fourier transform cross-correlation for the alignment of large chromatographic and spectral datasets
    • Wong, J. W. H., Durante, C., and Cartwright, H. M. (2005). Application of fast Fourier transform cross-correlation for the alignment of large chromatographic and spectral datasets. Anal. Chem. 77, 5655-5661. doi:10.1021/ac050619p
    • (2005) Anal. Chem , vol.77 , pp. 5655-5661
    • Wong, J.W.H.1    Durante, C.2    Cartwright, H.M.3
  • 205
    • 49749092328 scopus 로고    scopus 로고
    • Baseline correction for NMR spectroscopic metabolomics data analysis
    • Xi, Y., and Rocke, D. (2008). Baseline correction for NMR spectroscopic metabolomics data analysis. BMC Bioinformatics 9:324. doi:10.1186/1471-2105-9-324
    • (2008) BMC Bioinformatics , vol.9 , pp. 324
    • Xi, Y.1    Rocke, D.2
  • 206
    • 58149341281 scopus 로고    scopus 로고
    • MetaboMiner-semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
    • Xia, J., Bjorndahl, T., Tang, P., and Wishart, D. (2008). MetaboMiner-semi-automated identification of metabolites from 2D NMR spectra of complex biofluids. BMC Bioinformatics 9:507. doi:10.1186/1471-2105-9-507
    • (2008) BMC Bioinformatics , vol.9 , pp. 507
    • Xia, J.1    Bjorndahl, T.2    Tang, P.3    Wishart, D.4
  • 207
    • 84875552323 scopus 로고    scopus 로고
    • Translational biomarker discovery in clinical metabolomics: an introductory tutorial
    • Xia, J., Broadhurst, D., Wilson, M., and Wishart, D. (2013). Translational biomarker discovery in clinical metabolomics: an introductory tutorial. Metabolomics 9, 280-299. doi:10.1007/s11306-012-0482-9
    • (2013) Metabolomics , vol.9 , pp. 280-299
    • Xia, J.1    Broadhurst, D.2    Wilson, M.3    Wishart, D.4
  • 208
    • 84864479791 scopus 로고    scopus 로고
    • MetaboAnalyst 2.0-a comprehensive server for metabolomic data analysis
    • Xia, J., Mandal, R., Sinelnikov, I. V., Broadhurst, D., and Wishart, D. S. (2012). MetaboAnalyst 2.0-a comprehensive server for metabolomic data analysis. Nucleic Acids Res. 40, W127-W133. doi:10.1093/nar/gks374
    • (2012) Nucleic Acids Res , vol.40 , pp. W127-W133
    • Xia, J.1    Mandal, R.2    Sinelnikov, I.V.3    Broadhurst, D.4    Wishart, D.S.5
  • 209
    • 77956550520 scopus 로고    scopus 로고
    • MetPA: a web-based metabolomics tool for pathway analysis and visualization
    • Xia, J., and Wishart, D. S. (2010a). MetPA: a web-based metabolomics tool for pathway analysis and visualization. Bioinformatics 26, 2342-2344. doi:10.1093/bioinformatics/btq418
    • (2010) Bioinformatics , vol.26 , pp. 2342-2344
    • Xia, J.1    Wishart, D.S.2
  • 210
    • 77954256613 scopus 로고    scopus 로고
    • MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data
    • Xia, J., and Wishart, D. S. (2010b). MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data. Nucleic Acids Res. 38, W71-W77. doi:10.1093/nar/gkq329
    • (2010) Nucleic Acids Res , vol.38 , pp. W71-W77
    • Xia, J.1    Wishart, D.S.2
  • 211
    • 65349128823 scopus 로고    scopus 로고
    • An optimized buffer system for NMR-based urinary metabolomics with effective pH control, chemical shift consistency and dilution minimization
    • Xiao, C., Hao, F., Qin, X., Wang, Y., and Tang, H. (2009). An optimized buffer system for NMR-based urinary metabolomics with effective pH control, chemical shift consistency and dilution minimization. Analyst 134, 916-925. doi:10.1039/b818802e
    • (2009) Analyst , vol.134 , pp. 916-925
    • Xiao, C.1    Hao, F.2    Qin, X.3    Wang, Y.4    Tang, H.5
  • 212
    • 28444438861 scopus 로고    scopus 로고
    • A note on using permutation-based false discovery rate estimates to compare different analysis methods for microarray data
    • Xie, Y., Pan, W., and Khodursky, A. B. (2005). A note on using permutation-based false discovery rate estimates to compare different analysis methods for microarray data. Bioinformatics 21, 4280-4288. doi:10.1093/bioinformatics/bti685
    • (2005) Bioinformatics , vol.21 , pp. 4280-4288
    • Xie, Y.1    Pan, W.2    Khodursky, A.B.3
  • 213
    • 60549117342 scopus 로고    scopus 로고
    • Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis
    • Yang, C., He, Z., and Yu, W. (2009). Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis. BMC Bioinformatics 10:4. doi:10.1186/1471-2105-10-4
    • (2009) BMC Bioinformatics , vol.10 , pp. 4
    • Yang, C.1    He, Z.2    Yu, W.3
  • 214
    • 84876950001 scopus 로고    scopus 로고
    • Preanalytical aspects and sample quality assessment in metabolomics studies of human blood
    • Yin, P., Peter, A., Franken, H., Zhao, X., Neukamm, S. S., Rosenbaum, L., et al. (2013). Preanalytical aspects and sample quality assessment in metabolomics studies of human blood. Clin. Chem. 59, 833-845. doi:10.1373/clinchem.2012.199257
    • (2013) Clin. Chem , vol.59 , pp. 833-845
    • Yin, P.1    Peter, A.2    Franken, H.3    Zhao, X.4    Neukamm, S.S.5    Rosenbaum, L.6
  • 215
    • 83455203337 scopus 로고    scopus 로고
    • Modern analytical techniques in metabolomics analysis
    • Zhang, A., Sun, H., Wang, P., Han, Y., and Wang, X. (2012). Modern analytical techniques in metabolomics analysis. Analyst 137, 293-300. doi:10.1039/c1an15605e
    • (2012) Analyst , vol.137 , pp. 293-300
    • Zhang, A.1    Sun, H.2    Wang, P.3    Han, Y.4    Wang, X.5
  • 216
    • 84884570719 scopus 로고    scopus 로고
    • Integration of metabolomics and transcriptomics revealed a fatty acid network exerting growth inhibitory effects in human pancreatic cancer
    • Zhang, G., He, P., Tan, H., Budhu, A., Gaedcke, J., Ghadimi, B. M., et al. (2013). Integration of metabolomics and transcriptomics revealed a fatty acid network exerting growth inhibitory effects in human pancreatic cancer. Clin. Cancer Res. 19, 4983-4993. doi:10.1158/1078-0432.CCR-13-0209
    • (2013) Clin. Cancer Res , vol.19 , pp. 4983-4993
    • Zhang, G.1    He, P.2    Tan, H.3    Budhu, A.4    Gaedcke, J.5    Ghadimi, B.M.6
  • 217
    • 77951608940 scopus 로고    scopus 로고
    • Baseline correction using adaptive iteratively reweighted penalized least squares
    • Zhang, Z.-M., Chen, S., and Liang, Y.-Z. (2010). Baseline correction using adaptive iteratively reweighted penalized least squares. Analyst 135, 1138-1146. doi:10.1039/b922045c
    • (2010) Analyst , vol.135 , pp. 1138-1146
    • Zhang, Z.-M.1    Chen, S.2    Liang, Y.-Z.3
  • 218
    • 79958167476 scopus 로고    scopus 로고
    • Identification and quantification of metabolites in 1H NMR spectra by Bayesian model selection
    • Zheng, C., Zhang, S., Ragg, S., Raftery, D., and Vitek, O. (2011). Identification and quantification of metabolites in 1H NMR spectra by Bayesian model selection. Bioinformatics 27, 1637-1644. doi:10.1093/bioinformatics/btr118
    • (2011) Bioinformatics , vol.27 , pp. 1637-1644
    • Zheng, C.1    Zhang, S.2    Ragg, S.3    Raftery, D.4    Vitek, O.5
  • 219
    • 84855674607 scopus 로고    scopus 로고
    • LC-MS-based metabolomics
    • Zhou, B., Xiao, J. F., Tuli, L., and Ressom, H. W. (2012). LC-MS-based metabolomics. Mol. Biosyst. 8, 470-481. doi:10.1039/c1mb05350g
    • (2012) Mol. Biosyst , vol.8 , pp. 470-481
    • Zhou, B.1    Xiao, J.F.2    Tuli, L.3    Ressom, H.W.4
  • 220
    • 57749114932 scopus 로고    scopus 로고
    • Rejoinder: why do we test multiple traits in genetic association studies?
    • Zhu, W., and Zhang, H. (2009). Rejoinder: why do we test multiple traits in genetic association studies? J. Korean Stat. Soc. 38, 25-27. doi:10.1016/j.jkss.2008.10.007
    • (2009) J. Korean Stat. Soc , vol.38 , pp. 25-27
    • Zhu, W.1    Zhang, H.2


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