TY - JOUR AU - Shevchenko, A. AU - Simons, K. PY - 2010 DA - 2010// TI - Lipidomics: coming to grips with lipid diversity JO - Nat Rev Mol Cell Bio VL - 11 UR - https://doi.org/10.1038/nrm2934 DO - 10.1038/nrm2934 ID - Shevchenko2010 ER - TY - JOUR AU - Scalbert, A. AU - Brennan, L. AU - Fiehn, O. AU - Hankemeier, T. AU - Kristal, B. S. AU - van Ommen, B. AU - Pujos-Guillot, E. AU - Verheij, E. AU - Wishart, D. AU - Wopereis, S. PY - 2009 DA - 2009// TI - Mass-spectrometrybased metabolomics: limitations and recommendations for future progress with particular focus on nutrition research JO - Metabolomics VL - 5 UR - https://doi.org/10.1007/s11306-009-0168-0 DO - 10.1007/s11306-009-0168-0 ID - Scalbert2009 ER - TY - JOUR AU - Orešič, M. AU - Hänninen, V. A. AU - Vidal-Puig, A. PY - 2008 DA - 2008// TI - Lipidomics: a new window to biomedical frontiers JO - Trends Biotechnol VL - 26 UR - https://doi.org/10.1016/j.tibtech.2008.09.001 DO - 10.1016/j.tibtech.2008.09.001 ID - Orešič2008 ER - TY - JOUR AU - Dunn, W. B. AU - Ellis, D. I. PY - 2005 DA - 2005// TI - Metabolomics: current analytical platforms and methodologies JO - TrAC-Trend Anal Chem VL - 24 UR - https://doi.org/10.1016/j.trac.2004.11.021 DO - 10.1016/j.trac.2004.11.021 ID - Dunn2005 ER - TY - JOUR AU - Windig, W. AU - Phalp, J. M. AU - Payne, A. W. PY - 1996 DA - 1996// TI - A noise and background reduction method for component detection in liquid chromatography/mass spectrometry JO - Anal Chem VL - 68 UR - https://doi.org/10.1021/ac960435y DO - 10.1021/ac960435y ID - Windig1996 ER - TY - JOUR AU - Smith, C. A. AU - Want, E. J. AU - O’Maille, G. AU - Abagyan, R. AU - Siuzdak, G. PY - 2006 DA - 2006// TI - XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification JO - Anal Chem VL - 78 UR - https://doi.org/10.1021/ac051437y DO - 10.1021/ac051437y ID - Smith2006 ER - TY - JOUR AU - Huang, N. AU - Siegel, M. M. AU - Kruppa, G. H. AU - Laukien, F. H. PY - 1999 DA - 1999// TI - Automation of a Fourier transform ion cyclotron resonance mass spectrometer for acquisition, analysis, and e-mailing of high-resolution exact-mass electrospray ionization mass spectral data JO - J Am Soc Mass Spectr VL - 10 UR - https://doi.org/10.1016/S1044-0305(99)00089-6 DO - 10.1016/S1044-0305(99)00089-6 ID - Huang1999 ER - TY - JOUR AU - Kind, T. AU - Fiehn, O. PY - 2006 DA - 2006// TI - Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm JO - BMC Bioinformatics VL - 7 UR - https://doi.org/10.1186/1471-2105-7-234 DO - 10.1186/1471-2105-7-234 ID - Kind2006 ER - TY - JOUR AU - Böcker, S. AU - Letzel, M. C. AU - Lipták, Z. AU - Pervukhin, A. PY - 2009 DA - 2009// TI - SIRIUS: decomposing isotope patterns for metabolite identification JO - Bioinformatics VL - 25 UR - https://doi.org/10.1093/bioinformatics/btn603 DO - 10.1093/bioinformatics/btn603 ID - Böcker2009 ER - TY - JOUR AU - Steuer, R. PY - 2006 DA - 2006// TI - Review: on the analysis and interpretation of correlations in metabolomic data JO - Brief Bioinform VL - 7 UR - https://doi.org/10.1093/bib/bbl009 DO - 10.1093/bib/bbl009 ID - Steuer2006 ER - TY - JOUR AU - Heinonen, M. AU - Shen, H. AU - Zamboni, N. AU - Rousu, J. PY - 2012 DA - 2012// TI - Metabolite identification and molecular fingerprint prediction through machine learning JO - Bioinformatics VL - 28 UR - https://doi.org/10.1093/bioinformatics/bts437 DO - 10.1093/bioinformatics/bts437 ID - Heinonen2012 ER - TY - JOUR AU - Boccard, J. AU - Kalousis, A. AU - Hilario, M. AU - Lantéri, P. AU - Hanafi, M. AU - Mazerolles, G. AU - Wolfender, J. L. AU - Carrupt, P. A. AU - Rudaz, S. PY - 2010 DA - 2010// TI - Standard machine learning algorithms applied to UPLC-TOF/MS metabolic fingerprinting for the discovery of wound biomarkers in Arabidopsis thaliana JO - Chemometr Intell Lab VL - 104 UR - https://doi.org/10.1016/j.chemolab.2010.03.003 DO - 10.1016/j.chemolab.2010.03.003 ID - Boccard2010 ER - TY - JOUR AU - Huopaniemi, I. AU - Suvitaival, T. AU - Nikkilä, J. AU - Orešič, M. AU - Kaski, S. PY - 2009 DA - 2009// TI - Two-way analysis of high-dimensional collinear data JO - Data Min Knowl Disc VL - 19 UR - https://doi.org/10.1007/s10618-009-0142-5 DO - 10.1007/s10618-009-0142-5 ID - Huopaniemi2009 ER - TY - CHAP AU - Rogers, S. AU - Daly, R. AU - Breitling, R. ED - Larjo, A. ED - Schober, S. ED - Farhan, M. ED - Bossert, M. ED - Yli-Harja, O. PY - 2012 DA - 2012// TI - Mixture model clustering for peak filtering in metabolomics BT - Ninth International Workshop on Computational Systems Biology, WCSB 2012, June 4-6, 2012, Ulm, Germany, no. 61 in TICSP series PB - Tampere CY - Tampere University of Technology ID - Rogers2012 ER - TY - JOUR AU - Pluskal, T. AU - Castillo, S. AU - Villar-Briones, A. AU - Orešič, M. PY - 2010 DA - 2010// TI - MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data JO - BMC Bioinformatics VL - 11 UR - https://doi.org/10.1186/1471-2105-11-395 DO - 10.1186/1471-2105-11-395 ID - Pluskal2010 ER - TY - JOUR AU - Escobar, M. D. PY - 1994 DA - 1994// TI - Estimating normal means with a dirichlet process prior JO - J Am Stat Assoc VL - 425 UR - https://doi.org/10.1080/01621459.1994.10476468 DO - 10.1080/01621459.1994.10476468 ID - Escobar1994 ER - TY - JOUR AU - Mitchell, T. J. AU - Beauchamp, J. J. PY - 1988 DA - 1988// TI - Bayesian variable selection in linear regression JO - J Am Stat Assoc VL - 83 UR - https://doi.org/10.1080/01621459.1988.10478694 DO - 10.1080/01621459.1988.10478694 ID - Mitchell1988 ER - TY - BOOK AU - Dahl, D. B. PY - 2006 DA - 2006// TI - Bayesian Inference for Gene Expression and Proteomics PB - Cambridge University Press CY - Cambridge ID - Dahl2006 ER - TY - CHAP AU - Huopaniemi, I. AU - Suvitaival, T. AU - Orešič, M. AU - Kaski, S. ED - Balcázar, J. L. ED - Bonchi, F. ED - Gionis, A. ED - Sebag, M. PY - 2010 DA - 2010// TI - Graphical multi-way models BT - Machine Learning and Knowledge Discovery in Databases, ECML PKDD 2010, September 20–24, 2010, Barcelona, Spain, Volume 6321 of Lecture Notes in Computer Science PB - Springer CY - Berlin/Heidelberg ID - Huopaniemi2010 ER - TY - JOUR AU - Benjamini, Y. AU - Hochberg, Y. PY - 1995 DA - 1995// TI - Controlling the false discovery rate: a practical and powerful approach to multiple testing JO - J Roy Stat Soc B Met VL - 57 ID - Benjamini1995 ER - TY - JOUR AU - Vinh, N. AU - Epps, J. AU - Bailey, J. PY - 2010 DA - 2010// TI - Information theoretic measures for clusterings comparison: variants, properties, normalization and correction for chance JO - J Mach Learn Res VL - 11 ID - Vinh2010 ER - TY - JOUR AU - Franceschi, P. AU - Masuero, D. AU - Vrhovsek, U. AU - Mattivi, F. AU - Wehrens, R. PY - 2012 DA - 2012// TI - A benchmark spike-in data set for biomarker identification in metabolomics JO - J Chemometr VL - 26 UR - https://doi.org/10.1002/cem.1420 DO - 10.1002/cem.1420 ID - Franceschi2012 ER - TY - STD TI - Franceschi P, Masuero D, Vrhovsek U, Mattivi F, Wehrens R: Spiked apple data. [http://cri.fmach.eu/Research/Computational-Biology/Biostatistics-and-Data-Management/download/data/Spiked-Apple-Data] Accessed 11.06.2013., UR - http://cri.fmach.eu/Research/Computational-Biology/Biostatistics-and-Data-Management/download/data/Spiked-Apple-Data ID - ref23 ER - TY - JOUR AU - Hilvo, M. AU - Denkert, C. AU - Lehtinen, L. AU - Müller, B. AU - Brockmöller, S. AU - Seppänen-Laakso, T. AU - Budczies, J. AU - Bucher, E. AU - Yetukuri, L. AU - Castillo, S. AU - Berg, E. AU - Nygren, H. AU - Sysi-Aho, M. AU - Griffin, J. AU - Fiehn, O. AU - Loibl, S. AU - Richter-Ehrenstein, C. AU - Radke, C. AU - Hyötyläinen, T. AU - Kallioniemi, O. AU - Iljin, K. AU - Orešič, M. PY - 2011 DA - 2011// TI - Novel theranostic opportunities offered by characterization of altered membrane lipid metabolism in breast cancer progression JO - Cancer Res VL - 71 UR - https://doi.org/10.1158/0008-5472.CAN-10-3894 DO - 10.1158/0008-5472.CAN-10-3894 ID - Hilvo2011 ER -