Knowledge discovery in metabolomics: An overview of MS data handling

Journal of Separation Science

Volumn 33, Issue 3, 2010, Pages 290-304

  Boccard, Julien ^a   Veuthey, Jean Luc ^a   Rudaz, Serge ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

Data mining; Data processing; Metabolomics; MS

Indexed keywords

BIO-MARKER DISCOVERY; CHEMICAL DIVERSITY; DATA ANALYSIS; GOLD STANDARDS; KNOWLEDGE DISCOVERY; METABOLOMES; METABOLOMICS; PRE-TREATMENT; RESEARCH FIELDS; SMALL MOLECULES;

BIOLOGICAL SYSTEMS; DATA MINING;

DATA HANDLING;

BIOLOGICAL MARKER;

ANALYTIC METHOD; CLUSTER ANALYSIS; COMPARATIVE STUDY; DATA ANALYSIS; DATA ANALYSIS SOFTWARE; DECISION TREE; DIRECT INJECTION MASS SPECTROMETRY; EXPLORATORY RESEARCH; FILTRATION; GOLD STANDARD; HYPOTHESIS; INFORMATION PROCESSING; KNOWLEDGE DISCOVERY; LATENT STRUCTURE ANALYSIS; LEARNING; LEARNING ALGORITHM; LIQUID CHROMATOGRAPHY; MASS FRAGMENTOGRAPHY; MASS SPECTROMETRY; METABOLITE; METABOLOMICS; OPTICAL RESOLUTION; PARTIAL LEAST SQUARES REGRESSION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; REVIEW; SUPPORT VECTOR MACHINE;

BIOLOGICAL MARKERS; MASS SPECTROMETRY; METABOLOMICS;

EID: 77249175352     PISSN: 16159306     EISSN: 16159314     Source Type: Journal    
DOI: 10.1002/jssc.200900609     Document Type: Review

References (173)

1. Nicholson, J. K., Lindon, J. C., Holmes, E., Xenobiotica 1999, 29, 1181-1189.
2. Sumner, L. W., Mendes, P., Dixon, R. A., Phytochemistry 2003, 62, 817-836.
3. Hollywood, K., Brison, D. R., Goodacre, R., Proteomics 2006, 6, 4716-4723.
4. Oksman-Caldentey, K. M., Saito, K., Curr. Opin. Biotechnol. 2005, 16, 174-179.
5. Oresic, M., Clish, C. B., Davidov, E. J., Verheij, E., Vogels, J., Havekes, L. M., Neumann, E., Adourian, A., Naylor, S., van der Greef, J., Plasterer, T., Appl. Bioinformatics 2004, 3, 205-217.
6. Keun, H. C., Pharmacol. Ther. 2006, 109, 92-106.
7. Plumb, R. S., Dear, G. J., Mallett, D. N., Higton, D. M., Pleasance, S., Biddlecombe, R. A., Xenobiotica 2001, 31, 599-617.
8. Forster, J., Famili, I., Fu, P., Pjzalsson, B. O., Nielsen, J., Genome Res. 2003, 13, 244-253.
9. Ackermann, B. L., Hale, J. E., Duffin, K. L., Curr. Drug Metab. 2006, 7, 525-539.
10. van der Greef, J., Martin, S., Juhasz, P., Adourian, A., Plasterer, T., Verheij, E. R., McBurney, R. N., J. Proteome Res. 2007, 6, 1540-1559.
11. Sreekumar, A., Poisson, L. M., Rajendiran, T. M., Khan, A. P., Cao, Q., Yu, J. D., Laxman, B., Mehra, R., Lonigro, R. J., Li, Y., Nyati, M. K., Ahsan, A., Kalyana-Sundaram, S., Han, B., Cao, X. H., Byun, J., Omenn, G. S., Ghosh, D., Pennathur, S., Alexander, D. C., Berger, A., Shuster, J. R., Wei, J. T., Varambally, S., Beecher, C., Chinnaiyan, A. M., Nature 2009, 457, 910-914.
12. Lindon, J. C., Nicholson, J. K., Holmes, E., Antti, H., Bollard, M. E., Keun, H., Beckonert, O., Ebbels, T. M., Reilly, M. D., Robertson, D., Stevens, G. J., Luke, P., Breau, A. P., Cantor, G. H., Bible, R. H., Niederhauser, U., Senn, H., Schlotterbeck, G., Sidelmann, U. G., Laursen, S. M., Tymiak, A., Car, B. D., Lehman-McKeeman, L., Colet, J. M., Loukaci, A., Thomas, C., Toxicol. Appl. Pharmacol. 2003, 187, 137-146.
13. Dieterle, F., Schlotterbeck, G. T., Ross, A., Niederhauser, U., Senn, H., Chem. Res. Toxicol. 2006, 19, 1175-1181.
14. Wishart, D. S., Trends Food Sci. Technol. 2008, 19, 482-493.
15. Weckwerth, W., Annu. Rev. Plant. Biol. 2003, 54, 669-689.
16. Fiehn, O., Plant Mol. Biol. 2002, 48, 155-171.
17. Atherton, H. J., Bailey, N. J., Zhang, W., Taylor, J., Major, H., Shockcor, J., Clarke, K., Griffin, J. L., Physiol. Genomics 2006, 27, 178-186.
18. Dunn, W. B., Ellis, D., Trends Anal. Chem. 2005, 24, 285-294.
19. Jonsson, P., Gullberg, J., Nordström, A., Kusano, M., Kowalczyk, M., Sjoström, M., Moritz, T., Anal. Chem. 2004, 76, 1738-1745.
20. Sinha, A. E., Hope, J. L., Prazen, B. J., Nilsson, E. J., Jack, R. M., Synovec, R. E., J. Chromatogr. A 2004, 1058, 209-215.
21. Veriotti, T., Sacks, R., Anal. Chem. 2001, 73, 4395-4402.
22. Wagner, C., Sefkow, M., Kopka, J., Phytochemistry 2003, 62, 887-900.
23. Kopka, J., J. Biotechnol. 2006, 124, 312-322.
24. Huhman, D. V., Sumner, L. W., Phytochemistry 2002, 59, 347-360.
25. Idborg, H., Zamani, L., Edlund, P. O., Schuppe-Koistinen, I., Jacobsson, S. P., J. Chromatogr. B 2005, 828, 9-13.
26. Wolfender, J. L., Terreaux, C., Hostettmann, K., Pharm. Biol. 2000, 38, 41-54.
27. Ramautar, R., Demirci, A., de Jong, G. J., Trends Anal. Chem. 2006, 25, 455-466.
28. Garcia-Perez, I., Vallejo, M., Garcia, A., Legido-Quigley, C., Barbas, C., J. Chromatogr. A 2008, 1204, 130-139.
29. Soga, T., Ohashi, Y., Ueno, Y., Naraoka, H., Tomita, M., Nishioka, T., J. Proteome Res. 2003, 2, 488-494.
30. von Roepenack-Lahaye, E., Degenkolb, T., Zerjeski, M., Franz, M., Roth, U., Wessjohann, L., Schmidt, J., Scheel, D., Clemens, S., Plant Physiol. 2004, 134, 548-559.
31. Krishnan, P., Kruger, N. J., Ratcliffe, R. G., J. Exp. Bot. 2005, 56, 255-265.
32. Wolfender, J. L., Ndjoko, K., Hostettmann, K., Phytochem. Anal. 2001, 12, 2-22.
33. Brown, S. C., Kruppa, G., Dasseux, J. L., Mass Spectrom. Rev. 2005, 24, 223-231.
34. Brown, K., Tompkins, E. M., White, I. N. H., Mass Spectrom. Rev. 2006, 25, 127-145.
35. Brown, M., Dunn, W. B., Ellis, D. I., Goodacre, R., Handl, J., Knowles, J. D., O'Hagan, S., Spasic, I., Kell, D. B., Metabolomics 2005, 1, 39-51.
36. van der Greef, J., van der Heijden, R., Verheij, E. R., Adv. Mass Spectrom. 2004, 16, 145-165.
37. Werner, E., Heilier, J. F., Ducruix, C., Ezan, E., Junot, C., Tabet, J. C., J. Chromatogr. B 2008, 871, 143-163.
38. Dunn, W. B., Phys. Biol. 2008, 5, 11001.
39. Taylor, A. J., Linforth, R. S. T., Int. J. Spectrom. 2003, 223, 179-191.
40. van der Greef, J., Niessen, W. M. A., Int. J. Mass Spectrom. Ion Process. 1992, 118, 857-873.
41. Villas-Boas, S. G., Mas, S., Akesson, M., Smedsgaard, J., Nielsen, J., Mass Spectrom. Rev. 2005, 24, 613-646.
42. Robards, K., Haddad, P. R., Jackson, P. E., Principles and Practice of Modern Chromatographic Methods, Academic Press, London 1996.
43. Roessner, U., Wagner, C., Kopka, J., Trethewey, R. N., Willmitzer, L., Plant J. 2000, 23, 131-142.
44. Halket, J. M., Zaikin, V. G., Eur. J. Mass Spectrom. 2003, 9, 1-21.
45. Halket, J. M., Waterman, D., Przyborowska, A. M., Patel, R. K. P., Fraser, P. D., Bramley, P. M., J. Exp. Bot. 2005, 56, 219-243.
46. Zaikin, V. G., Halket, J. M., Eur. J. Mass Spectrom. 2003, 9, 421-434.
47. Horning, E. C., Clin. Chem. 1968, 14, 777.
48. Pauling, L., Robinson, A. B., Teranish, R., Cary, P., Proc. Natl. Acad. Sci. USA 1971, 68, 2374-2376.
49. Schauer, N., Steinhauser, D., Strelkov, S., Schomburg, D., Allison, G., Moritz, T., Lundgren, K., Roessner-Tunali, U., Forbes, M. G., Willmitzer, L., Fernie, A. R., Kopka, J., FEBS Lett. 2005, 579, 1332-1337.
50. Beens, J., Brinkman, U. A. T., Analyst 2005, 130, 123-127.
51. Idborg, H., Edlund, P. O., Jacobsson, S. P., Rapid Commun. Mass. Spectrom. 2004, 18, 944-954.
52. Niessen, W. M. A., J. Chromatogr. A 1999, 856, 179-197.
53. Tolstikov, V. V., Lommen, A., Nakanishi, K., Tanaka, N., Fiehn, O., Anal. Chem. 2003, 75, 6737-6740.
54. Wang, C., Kong, H. W., Guan, Y. F., Yang, J., Gu, J. R., Yang, S. L., Xu, G. W., Anal. Chem. 2005, 77, 4108-4116.
55. Ding, J., Sorensen, C. M., Zhang, Q. B., Jiang, H. L., Jaitly, N., Livesay, E. A., Shen, Y. F., Smith, R. D., Metz, T. O., Anal. Chem. 2007, 79, 6081-6093.
56. Dear, G. J., Ayrton, J., Plumb, R., Fraser, I. J., Rapid Commun. Mass. Spectrom. 1999, 13, 456-463.
57. Swartz, M. E., J. Liquid Chromatogr. Rel. Technol. 2005, 28, 1253-1263.
58. Plumb, R. S., Rainville, P., Smith, B. W., Johnson, K. A., Castro-Perez, J., Wilson, I. D., Nicholson, J. K., Anal. Chem. 2006, 78, 7278-7283.
59. Stoll, D. R., Cohen, J. D., Carr, P. W., J. Chromatogr. A 2006, 1122, 123-137.
60. Grata, E., Boccard, J., Guillarme, D., Glauser, G., Carrupt, P. A., Farmer, E. E., Wolfender, J. L., Rudaz, S., J. Chromatogr. B Analyt. Technol. Biomed. Life Sci. 2008, 871, 261-270.
61. Maruska, A., Kornysova, O., J. Chromatogr. A 2006, 1112, 319-330.
62. Pham-Tuan, H., Kaskavelis, L., Daykin, C. A., Janssen, H. G., J. Chromatogr. B 2003, 789, 283-301.
63. Hendriks, M. M. W. B., Cruz-Juarez, L., De Bont, D., Hall, R., Anal. Chim. Acta 2005, 545, 53-64.
64. van den Berg, R. A., Hoefsloot, H. C. J., Westerhuis, J. A., Smilde, A. K., van der Werf, M. J., Biomed. Chromatogr. Genomics 2006, 7.
65. Jonsson, P., Bruce, S. J., Moritz, T., Trygg, J., Sjoestroem, M., Plumb, R., Granger, J., Maibaum, E., Nicholson, J. K., Holmes, E., Antti, H., Analyst 2005, 130, 701-707.
66. Hilario, M., Kalousis, A., Pellegrini, C., Muller, M., Mass Spectrom. Rev. 2006, 25, 409-449.
67. Katajamaa, M., Oresic, M., J. Chromatogr. A 2007, 1158, 318-328.
68. Davis, R. A., Charlton, A. J., Godward, J., Jones, S. A., Harrison, M., Wilson, J. C., Chemometric Intell. Lab. Syst. 2007, 85, 144-154.
69. Fleming, C. M., Kowalski, B. R., Apffel, A., Hancock, W. S., J. Chromatogr. A 1999, 849, 71-85.
70. Radulovic, D., Jelveh, S., Ryu, S., Hamilton, T. G., Foss, E., Mao, Y., Emili, A., Mol. Cell. Proteom. 2004, 3, 984-997.
71. Wang, W., Zhou, H., Lin, H., Roy, S., Shaler, T. A., Hill, L. R., Norton, S., Kumar, P., Anderle, M., Becker, C. H., Anal. Chem. 2003, 75, 4818-4826.
72. Li, X. J., Yi, E. C., Kemp, C. J., Zhang, H., Aebersold, R., Mol. Cell. Proteom. 2005, 4, 1328-1340.
73. Hastings, C. A., Norton, S. M., Roy, S., Rapid Commun. Mass. Spectrom. 2002, 16, 462-467.
74. Katajamaa, Mi., Oresic, M., Biomed. Chromatogr. Bioinformatics 2005, 6, 179.
75. Smith, C. A., Want, E. J., O'Maille, G., Abagyan, R., Siuzdak, G., Anal. Chem. 2006, 78, 779-787.
76. Eanes, R. C., Marcus, R. K., Spectrochim. Acta B. At. Spectrosc. 2000, 55B, 403-428.
77. Hermansson, M., Uphoff, A., Kakela, R., Somerharju, P., Anal. Chem. 2005, 77, 2166-2175.
78. Leptos, K. C., Sarracino, D. A., Jaffe, J. D., Krastins, B., Church, G. M., Proteomics 2006, 6, 1770-1782.
79. Windig, W., Phalp, J. M., Payne, A. W., Anal. Chem. 1996, 68, 3602-3606.
80. Windig, W., Smith, W. F., J. Chromatogr. A 2007, 1158, 251-257.
81. Gika, H. G., Macpherson, E., Theodoridis, G. A., Wilson, I. D., J. Chromatogr. B 2008, 871, 299-305.
82. Lange, E., Tautenhahn, R., Neumann, S., Gropl, C., Biomed Chromatogr. Bioinformatics 2008, 9, 375.
83. Nordstrom, A., O'Maille, G., Qin, C., Siuzdak, G., Anal. Chem. 2006, 78, 3289-3295.
84. Johnson, K. J., Wright, B. W., Jarman, K. H., Synovec, R. E., J. Chromatogr. A 2003, 996, 141-155.
85. Wang, C. P., Isenhour, T. L., Anal. Chem. 1987, 59, 649-654.
86. Bylund, D., Danielsson, R., Malmquist, G., Markides, K. E., J. Chromatogr. A 2002, 961, 237-244.
87. Tomasi, G., van den Berg, F., Andersson, C., J. Chemometrics 2004, 18, 231-241.
88. Prince, J. T., Marcotte, E. M., Anal. Chem. 2006, 78, 6140-6152.
89. Nielsen, N. P. V., Carstensen, J. M., Smedsgaard, J., J. Chromatogr. A 1998, 805, 17-35.
90. Pravdova, V., Walczak, B., Massart, D. L., Anal. Chim. Acta 2002, 456, 77-92.
91. De Souza, D. P., Saunders, E. C., McConville, M. J., Likic, V. A., Bioinformatics 2006, 22, 1391-1396.
92. Shen, H. L., Grung, B., Kvalheim, O. M., Eide, I., Anal. Chim. Acta 2001, 446, 313-328.
93. Andreev, V. P., Rejtar, T., Chen, H. S., Moskovets, E. V., Ivanov, A. R., Karger, B. L., Anal. Chem. 2003, 75, 6314-6326.
94. Scholz, M., Gatzek, S., Sterling, A., Fiehn, O., Selbig, J., Bioinformatics 2004, 20, 2447-2454.
95. Bijlsma, S., Bobeldijk, L., Verheij, E. R., Ramaker, R., Kochhar, S., Macdonald, I. A., van Ommen, B., Smilde, A. K., Anal. Chem. 2006, 78, 567-574.
96. Wu, L., Mashego, M. R., van Dam, J. C., Proell, A. M., Vinke, J. L., Ras, C., van Winden, W. A., van Gulik, W. M., Heijnen, J. J., Anal. Biochem. 2005, 336, 164-171.
97. Birkemeyer, C., Luedemann, A., Wagner, C., Erban, A., Kopka, J., Trends Biotechnol. 2005, 23, 28-33.
98. Baran, R., Kochi, H., Saito, N., Suematsu, M., Soga, T., Nishioka, T., Robert, M., Tomita, M., Biomed Chromatogr. Bioinformatics 2006, 7, 530.
99. Vorst, O., De Vos, C. H. R., Lommen, A., Staps, R. V., Visser, R. G. F., Bino, R. J., Hall, R. D., Metabolomics 2005, 1, 169-180.
100. Duran, A. L., Yang, J., Wang, L., Sumner, L. W., Bioinformatics 2003, 19, 2283-2293.
101. Neuweger, H., Albaum, S. P., Dondrup, M., Persicke, M., Watt, T., Niehaus, K., Stoye, J., Goesmann, A., Bioinformatics 2008, 24, 2726-2732.
102. Idborg-Björkman, H., Edlund, P. O., Kvalheim, O. M., Schuppe-Koistinen, I., Jacobsson, S. P., Anal. Chem. 2003, 75, 4784-4792.
103. Lenz, E. M., Bright, J., Knight, R., Westwood, F. R., Davies, D., Major, H., Wilson, I. D., Biomarkers 2005, 10, 173-187.
104. Sadygov, R. G., Maroto, F. M., Huhmer, A. F. R., Anal. Chem. 2006, 78, 8207-8217.
105. Idborg, H., Zamani, L., Edlund, P. O., Schuppe-Koistinen, I., Jacobsson, S. P., J. Chromatogr. B 2005, 828, 14-20.
106. Kind, T., Tolstikov, V., Fiehn, O., Weiss, R. H., Anal. Biochem. 2007, 363, 185-195.
107. Bro, R., Smilde, A. K., J. Chemometrics 2003, 17, 16-33.
108. Jackson, J. E., A User's Guide to Principal Components, Wiley Interscience, New York 2004.
109. Eriksson, L., Johansson, E., Kettaneh-Wold, N., Wold, S., Multi- and Megavariate Data Analysis: Principles and Applications, Umetrics Academy, Umea, Sweden 2002.
110. Keun, H. C., Ebbels, T. M. D., Antti, H., Bollard, M. E., Beckonert, O., Holmes, E., Lindon, J. C., Nicholson, J. K., Anal. Chim. Acta 2003, 490, 265-276.
111. Smilde, A. K., van der Werf, M. J., Bijlsma, S., van der Werff-van der Vat, B., Jellema, R. H., Anal. Chem. 2005, 77, 6729-6736.
112. Kvalheim, O. M., Brakstad, F., Liang, Y. Z., Anal. Chem. 1994, 66, 43-51.
113. Sokal, R. R., Rohlf, F. J., Biometry: The Principles and Practice of Statistics in Biological Research, W. H. Freeman and Company, New York 1995.
114. Weckwerth, W., Morgenthal, K., Drug Discov. Today 2005, 10, 1551-1558.
115. Broadhurst, D. I., Kell, D. B., Metabolomics 2006, 2, 171-196.
116. Holmes, E., Antti, H., Analyst 2002, 127, 1549-1557.
117. Massart, D. L., Vandeginste, B. G. M., Buydens, L. M. C., De Jong, S., Lewi, P. J., Smeyers-Verbeke, J. (Eds.), Handbook of Chemometrics and Qualimetrics, Part A, Elsevier, Oxford, UK 1997.
118. Eriksson, L., Antti, H., Gottfries, J., Holmes, E., Johansson, E., Lindgren, F., Long, I., Lundstedt, T., Trygg, J., Wold, S., Anal. Bioanal. Chem. 2004, 380, 419-429.
119. Hotelling, H., J. Educat. Psychol. 1933, 24, 417-441.
120. Trygg, J., Gullberg, J., Johansson, A. I., Jonsson, P., Moritz, T., Biotechnol. Agri. Forestry 2006, 57, 117-128.
121. Wiener, M. C., Sachs, J. R., Deyanova, E., Yates, N. A., Anal. Chem. 2004, 76, 6085-6096.
122. Shaffer, J. P., Ann. Rev. Psychol. 1995, 46, 561-584.
123. Schauer, N., Zamir, D., Fernie, A. R., J. Exp. Bot. 2005, 56, 297-307.
124. Serkova, N. J., Jackman, M., Brown, J. L., Liu, T., Hirose, R., Roberts, J. P., Maher, J. J., Niemann, C. U., J. Hepatol. 2006, 44, 956-962.
125. Pearson, K., Philos. Mag. 1901, 2, 559-572.
126. Major, H. J., Williams, R., Wilson, A. J., Wilson, I. D., Rapid Commun. Mass Spectrom. 2006, 20, 3295-3302.
127. Pierce, K. M., Hope, J. L., Hoggard, J. C., Synovec, R. E., Talanta 2006, 70, 797-804.
128. Bylund, D., Samskog, J., Markides, K. E., Jacobsson, S. P., J. Am. Soc. Mass Spectrom. 2003, 14, 236-240.
129. Belton, P. S., Colquhoun, I. J., Kemsley, E. K., Delgadillo, I., Roma, P., Dennis, M. J., Sharman, M., Holmes, E., Nicholson, J. K., Spraul, M., Food Chem. 1998, 61, 207-213.
130. Jansen, J. J., Hoefsloot, H. C. J., Boelens, H. F. M., van der Greef, J., Smilde, A. K., Bioinformatics 2004, 20, 2438-2446.
131. Chan, E. C. Y., Yap, S. L., Lau, A. J., Leow, P. C., Toh, D. F., Koh, H. L., Rapid Commun. Mass Spectrom. 2007, 21, 519-528.
132. Eisen, M. B., Spellman, P. T., Brown, P. O., Botstein, D., Proc. Natl. Acad. Sci. USA 1998, 95, 14863-14868.
133. Tikunov,Y., Lommen, A., De Vos, C. H. R., Verhoeven, H. A., Bino, R. J., Hall, R. D., Bovy, A. G., Plant Physiol. 2005, 139, 1125-1137.
134. Beckonert, O., Bollard, M. E., Ebbels, T. M. D., Keun, H. C., Antti, H., Holmes, E., Lindon, J. C., Nicholson, J. K., Anal. Chim. Acta 2003, 490, 3-15.
135. Wold, S., Johansson, E., Cocchi, M., 3D QSAR in Drug Design: Theory, Methods and Applications, Escom Science Publisher, Leiden 1993, pp. 523-550.
136. Wold, S., Sjoström, M., Eriksson, L., Chemometric Intell. Lab. Syst. 2001, 58, 109-130.
137. Kettaneh-Wold, N., Chemometric Intell. Lab. Syst. 1992, 14, 57-69.
138. Wold, S., Ruhe, A., Wold, H., Dunn, W. J., Siam J., Sci. Stat. Comput. 1984, 5, 735-743.
139. Daszykowski, M., Walczak, B., Massart, D. L., Chemometric Intell. Lab. Syst. 2003, 65, 97-112.
140. Trygg, J., Wold, S., J. Chemometrics 2002, 16, 119-128.
141. Trygg, J., Wold, S., J. Chemometrics 2003, 17, 53-64.
142. Quinlan, J. R., J. Artif. Intell. Res. 1996, 4, 77-90.
143. Breiman, L., Friedman, J. H., Olshen, R. A., Stone, C. J., Classification and Regression Trees, Wadsworth & Brooks, Monterey, CA, USA 1984.
144. Zheng, Z. J., Knowl-Based Syst. 1998, 10, 421-430.
145. Gama, J., Adv. Intell. Data Anal. 1997, 1280, 187-198.
146. Breiman, L., Mach. Learn. 2001, 45, 5-32.
147. Gallant, S. I., IEEE Trans. Neural Netw. 1990, 1, 179-191.
148. Taylor, J., King, R. D., Altmann, T., Fiehn, O., Bioinformatics 2002, 18, S241-S248.
149. Poggio, T., Girosi, F., Proc. IEEE 1990, 78, 1481-1497.
150. Hand, D. J., Yu, K. M., Int. Stat. Rev. 2001, 69, 385-398.
151. Aha, D. W., Kibler, D., Albert, M. K., Mach. Learn. 1991, 6, 37-66.
152. Wettschereck, D., Aha, D. W., Mohri, T., Artif. Intell. Rev. 1997, 11, 273-314.
153. Keerthi, S. S., Gilbert, E. G., Mach. Learn. 2002, 46, 351-360.
154. Platt, J., IEEE Intell. Syst. 1998, 13, 26-28.
155. Vapnik, V. N., IEEE Trans. Neural Netw. 1999, 10, 988-999.
156. Guyon, I., Weston, J., Barnhill, S., Vapnik, V., Mach. Learn. 2002, 46, 389-422.
157. Mahadevan, S., Shah, S. L., Marrie, T. J., Slupsky, C. M., Anal. Chem. 2008, 80, 7562-7570.
158. Mitchell, T. M., Machine Learning, McGraw Hill Higher Education, New York 1997.
159. Hall, M. A., Holmes, G., IEEE Trans. Knowl. Data En. 2003, 15, 1437-1447.
160. Guyon, I., Elisseeff, A., J. Mach. Learn. Res. 2003, 3, 1157-1182.
161. Fisher, R. A., Statistical Methods for Research Workers, Oliver and Boyd, Edinburgh, UK 1925.
162. Robnik-Sikonja, M., Kononenko, I., Mach. Learn. 2003, 53, 23-69.
163. Kononenko, I., Simec, E., Robnik-Sikonja, M., Appl. Intell. 1997, 7, 39-55.
164. Wold, S., Antti, H., Lindgren, F., Ohman, J., Chemo. Intell. Lab. Syst. 1998, 44, 175-185.
165. Kullback, S., Ann. Math. Stat. 1952, 23, 88-102.
166. Yu, L., Liu, H., J. Mach. Learn. Res. 2004, 5, 1205-1224.
167. Kohavi, R., John, G. H., Artif. Intell. 1997, 97, 273-324.
168. Cohen, J., Edu. Psychol. Meas. 1960, 20, 37-46.
169. Fleiss, J. L., Psychol. Bull. 1971, 76, 378-382.
170. Bousquet, O., Elisseeff, A., J. Mach. Learn. Res. 2002, 2, 499-526.
171. Dietterich, T. G., Neural Comput. 1998, 10, 1895-1923.
172. Nadeau, C., Bengio, Y., Mach. Learn. 2003, 52, 239-281.
173. Pierce, K. M., Hoggard, J. C., Mohler, R. E., Synovec, R. E., J. Chromatogr. A 2008, 1184, 341-352.