Feature selection by lorentzian peak reconstruction for1NMR post-processing

Proceedings - IEEE Symposium on Computer-Based Medical Systems

Volumn , Issue , 2008, Pages 608-613

  Koh, Hyung Won ^a   Lambert, Jörg ^a   Maddula, Sasidhar ^a   Hergenröder, Roland ^a   Hildebrand, Lars ^b  

^a LEIBNIZ INSTITUT FÜR ANALYTISCHE WISSENSCHAFTEN ISAS E V   (Germany)

^b TU DORTMUND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER-BASED MEDICAL SYSTEMS; EXPERT KNOWLEDGE; FEATURE SELECTION; INTERNATIONAL SYMPOSIUM; LORENTZIAN PEAKS; MANUAL ANALYSIS; METABOLOMIC ANALYSIS; NM R SPECTRUM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY (NMR); ONE-DIMENSIONAL; PAPER ADDRESSES; POST-PROCESSING METHODS; REAL-WORLD; REDUCTION METHODS; SIMULATED SPECTRUM; TIME CONSUMING;

CHLORINE COMPOUNDS; DATA REDUCTION; KNOWLEDGE BASED SYSTEMS; MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE; RESONANCE; TECHNICAL PRESENTATIONS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 51849086430     PISSN: 10637125     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/CBMS.2008.43     Document Type: Conference Paper

References (16)

1. L. P. Ammann, M. Merritt, A. Sagalowsky, and P. Nurenberg. Peak-finding partial least squares for the analysis of 1h nmr spectra. Journal of Chemometrics, 20(6-7): 231-238, 2006.
2. T. Anderson. An Introduction to Multivariate Statistical Analysis. Wiley New York, 1971.
3. P. F. Bernath. Fourier transform techniques. In the Encyclopedia of Analytical Science, volume 3, pages 498-504. Elsevier, Oxford, 2005.
4. D. Chang, A. Weljie, and J. Newton. Leveraging latent information in nmr spectra for robust predictive models. In Pacific Symposium on Biocomputing, volume 12, pages 115-126, 2007.
5. R. R. Ernst, G. Bodenhausen, and A. Wokaun. Principles of Nuclear Magnetic Resonance in One and Two Dimensions. Clarendon Press, Oxford, 1987.
6. J. Järvi, S. Nyman, M. Komu, and J. J. Forsström. A pc Programm for automatic analysis of nmr spectrum series. Computer Methods and Programs in Biomedicine, 52(3):213-222(10), March 1997.
7. A. J. Kim and L. G. Butler. Nonlinear least-squares fitting procedure for solid-state nmr powder patterns. Concepts in Magnetic Resonance, 4(3):205-226, 1992.
8. P. J. G. Lisboa, S. P. J. Kirby, A. Vellido, Y. Y. B. Lee, and W. El-Deredy. Assessment of statistical and neural networks methods in nmr spectral classification and metabolite selection. NMR in Biomedicine, 11(4-5):225 - 234.
9. B. Meyer, T. Hansen, D. Nute, P. Albersheim, A. Darvill, W. York, and J. Sellers. Identification of the lh-nmr spectra of complex oligosaccharides with artificial neural networks. Science, 251(4993):542-544.
10. A. T. Miccheli, A. Miccheli, R. D. Clemente, M. Valerio, P. Coluccia, M. Bizzarri, and F. Conti. Nmr-based metabolic profiling of human hepatoma cells in relation to cell growth by culture media analysis. Biochimica et Biophysica Acta, 1760:1723-1731, 2006.
11. W. Press, B. Flannery, S. Teukolsky, and W. Vetterling. Numerical Recipes in C++. Cambridge University Press, 3 edition, 2007.
12. B. D. Ripley. Pattern Recognition and Neural Networks. Cambridge Univ. Press, 1996.
13. L. M. Samuelsson, L. Forlin, G. Karlsson, M. Adolfsson-Erici, and D. J. Larsson. Using nmr metabolomics to identify responses of an environmental estrogen in blood plasma of fish. Aquatic Toxicology, 78(4):341-349, July 2006.
14. L. Ståhle and S. Wold. Partial least squares analysis with cross-validation for the two-class problem: A monte carlo study. Journal of Chemometrics, 1(3):185-196, 1987.
15. R. Stoyanova, A. W. Nicholls, J. K. Nicholson, J. C. Lindon, and T. R. Brown. Automatic alignment of individual peaks in large high-resolution spectral data sets. Journal of Magnetic Resonance, 170(2):329-335, October 2004.
16. 1h nmr metabolomics data. Analytical Chemistry, 78(13):4430-4442, 2006.