Sample classification based on Bayesian spectral decomposition of metabonomic NMR data sets

Analytical Chemistry

Volumn 76, Issue 13, 2004, Pages 3666-3674

  Stoyanova, Radka ^a   Nicholson, Jeremy K ^b   Lindon, John C ^b   Brown, Truman R ^c  

^a FOX CHASE CANCER CENTER   (United States)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c Columbia University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BIOMARKERS; DATA REDUCTION; FLOW OF FLUIDS; METABOLISM; NUCLEAR MAGNETIC RESONANCE;

BIOFLUIDS; TOXIC LESIONS;

BIOCHEMISTRY;

BIOLOGICAL MARKER; HYDRAZINE; TOXIN;

ALGORITHM; ANIMAL EXPERIMENT; ANIMAL MODEL; ARTICLE; BAYES THEOREM; BIOCHEMISTRY; BODY FLUID; CLASSIFICATION; DATA BASE; DECOMPOSITION; LIVER TOXICITY; MALE; METABOLISM; NONHUMAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PATTERN RECOGNITION; PROTON NUCLEAR MAGNETIC RESONANCE; RAT; TIME; URINE;

ANIMALS; BAYES THEOREM; DATABASES; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG TOXICITY; HYDRAZINES; LIVER; MAGNETIC RESONANCE SPECTROSCOPY; MALE; RATS; RATS, WISTAR; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP; TIME FACTORS;

EID: 3042785758     PISSN: 00032700     EISSN: None     Source Type: Journal    
DOI: 10.1021/ac049849e     Document Type: Article

References (32)

1. Holmes, E.; Nicholls, A. W.; Lindon, J. C.; Connor, S. C.; Connelly, J. C.; Haselden, J. N.; Damment, S. J.; Spraul, M.; Neidig, P.; Nicholson J. K. Chem. Res. Toxicol. 2000, 13, 471-478,
2. Holmes, E.; Nicholls, A. W.; Lindon, J. C.; Ramos, S.; Spraul, M.; Neidig, P.; Connor, S. C.; Connelly, J.; Damment, S. J. P.; Haselden, J.; Nicholson, J. K. NMR Biomed. 1998, 11, 235-244.
3. Beckwith-Hall, B. M.; Nicholson, J. K.; Nicholls, A. W.; Foxall, P. J.; Lindon, J. C.; Connor, S. C.; Abdi, M.; Connelly, J.; Holmes, E. Chem, Res. Toxicol. 1998, 11, 260-272.
4. Anthony, M. L.; Sweatman, B. C.; Beddell, C. R.; Lindon, J. C.; Nicholson, J. K. Mol. Pharmacol. 1994, 46, 199-211.
5. Nicholson, J. K.; Higham, D. P.; Timbrell, J. A.; Sadler, P. J. Mol. Pharmacol. 1989, 36, 398-404.
6. Lindon, J. C.; Nicholson, J. K.; Everett, J. R. Annu. Rep. NMR Spectrosc. 1999, 38, 1-99.
7. Gartland, K. P. R.; Beddell, C. R.; Lindon, J. C.; Nicholson, J. K. J. Pharm. Biomed. Anal. 1990, 8, 963-968.
8. Gartland, K. P. R.; Bonner, F. W.; Nicholson, J. K. Mol. Pharmacol. 1989, 35, 242-250.
9. Lindon, J. C.; Nicholson, J. K.; Holmes, E.; Antti, H.; Bollard, M. E.; Keun, H.; Beckonert, O.; Ebbels, T. M.; Reily, M. D.; Robertson, D. Toxicol. Appl. Pharmacol. 2003, 187, 137-146.
10. Gartland, K. P.; Sanins, S. M.; Nicholson, J. K.; Sweatman, B. C.; Beddell, C. R.; Lindon, J. C. NMR Biomed. 1990, 3, 166-172.
11. Antti, H.; Bollard, M. E.; Ebbels, T. M. D.; Keun, H. C.; Lindon, J. C.; Nicholson, J. K.; Holmes, E. J. Chemom. 2002, 16, 1-9.
12. 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 2002, CAC2002 procedings.
13. Ebbels, T.; Keun, H.; Beckonert, O.; Antti, H.; Bollard, M.; Holmes, E.; Lindon, J.; Nicholson, J. Anal. Chim. Acta, in press.
14. Brindle, J. T.; Antti, H.; Holmes, E.; Tranter, G.; Nicholson, J. K.; Bethell, H. W.; Clarke, S.; Schofield, P. M.; McKilligin, E.; Mosedale, D. E.; Grainger, D. J. Nat. Med. 2002, 8, 1439-1444.
15. Plumb, R.; Granger, J.; Stumpf, C.; Wilson, I. D.; Evans, J. A.; Lenz, E. M. Analyst 2003, 128, 819-823.
16. Ochs, M. F.; Stoyanova, R. S.; Arias-Mendoza, F.; Brown, T. R. J. Magn. Reson. 1999, 137, 161-176.
17. Stoyanova, R.; Brown, T. R.; Lindon, J.; Nicholls, A.; Nicholson, J. Proc. Int. Soc. Magn. Reson. Med. 2001.
18. Nicholls, A. W.; Holmes, E.; Lindon, J. C.; Shockcor, J. P.; Farrant, R. D.; Haselden, J. N.; Damment, S. J. P.; Waterfield, C. J.; Nicholson, J. K. Chem. Res. Toxicol. 2001, 14, 975-987.
19. Stoyanova, R.; Brown, T. R. NMR Biomed. 2001, 14, 271-277.
20. Geman, S.; Geman, D. IEEE Trans. Pattern Anal. Mach. Intell. 1984, 6, 721-741.
21. Sibisi, S.; Skilling, J. J. R. Stat. Soc. 1997, B 59, 217-235.
22. Everitt, B. Cluster Analysis; Halsted Press: New York, 1980.
23. Stoyanova, R.; Kuesel, A. C.; Brown, T. R. J. Magn. Reson., Ser. A 1995, 115, 265-269.
24. Sanins, S. M.; Timbrell, J. A.; Elcombe, C.; Nicholson, J. K. Arch. Toxicol. 1992, 66, 489-495.
25. Newsholme, E. A.; Leach, A. R. Biochemistry for the Medicinal Sciences; John Wiley and Sons: Chichester, 1995.
26. Seigel, G. J. Basic Neurochemistry: Molecular, Cellular and Medical Aspects; Raven Press: New York, 1993.
27. Alberati-Giani, D.; Malherbe, P.; Kohler, C.; Lang, G.; Kiefer, V.; Lahm, H. W.; Cesura, A. M. J. Neurochem. 1995, 64, 1448-1455.
28. Forshed, J.; Schuppe-Koisyinen, I.; Jacobson, S. P. Anal. Chim. Acta 2003, 487, 189-199.
29. Eilers, P. H. C. Anal. Chem. 2004, 76, 404-411.
30. Malinowski, E. R. Factor Analysis in Chemistry; John Wiley & Sons: New York, 1991.
31. Hamilton, J. C.; Gemperline, P. J. J. Chemom. 1990, 4, 1-13.
32. Windig, W.; Guilment, J. Anal. Chem. 1991, 63, 1425-1432.