Peak alignment of NMR signals by means of a genetic algorithm
暂无分享,去创建一个
[1] Paul Geladi,et al. Principal Component Analysis , 1987, Comprehensive Chemometrics.
[2] T R Brown,et al. NMR spectral quantitation by principal-component analysis. II. Determination of frequency and phase shifts. , 1996, Journal of magnetic resonance. Series B.
[3] K. Booksh,et al. Mathematical Alignment of Wavelength-Shifted Optical Spectra for Qualitative and Quantitative Analysis , 1996 .
[4] David E. Goldberg,et al. Genetic Algorithms in Search Optimization and Machine Learning , 1988 .
[5] P. A. Taylor,et al. Synchronization of batch trajectories using dynamic time warping , 1998 .
[6] J. van der Greef,et al. Partial linear fit: A new NMR spectroscopy preprocessing tool for pattern recognition applications , 1996 .
[7] H. Martens,et al. SHIFT AND INTENSITY MODELING IN SPECTROSCOPY-GENERAL CONCEPT AND APPLICATIONS , 1999 .
[8] E Holmes,et al. Automatic reduction of NMR spectroscopic data for statistical and pattern recognition classification of samples. , 1994, Journal of pharmaceutical and biomedical analysis.
[9] John H. Holland,et al. Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence , 1992 .
[10] Thomas L. Isenhour,et al. Time-warping algorithm applied to chromatographic peak matching gas chromatography/Fourier transform infrared/mass spectrometry , 1987 .
[11] A Heerschap,et al. Automatic correction for phase shifts, frequency shifts, and lineshape distortions across a series of single resonance lines in large spectral data sets. , 2000, Journal of magnetic resonance.
[12] Bruce R. Kowalski,et al. Standardization of Second-Order Chromatographic/Spectroscopic Data for Optimum Chemical Analysis , 1998 .
[13] J. Lindon,et al. The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine , 1998 .
[14] Christopher R. Houck,et al. A Genetic Algorithm for Function Optimization: A Matlab Implementation , 2001 .
[15] Jenny Forshed,et al. NMR and Bayesian regularized neural network regression for impurity determination of 4-aminophenol. , 2002, Journal of pharmaceutical and biomedical analysis.
[16] Berthold K. P. Horn,et al. "Determining optical flow": A Retrospective , 1993, Artif. Intell..
[17] Henrik Antti,et al. Application of orthogonal signal correction to minimise the effects of physical and biological variation in high resolution 1H NMR spectra of biofluids. , 2002, The Analyst.
[18] G. Lieberman,et al. Introduction to Mathematical Programming , 1990 .
[19] D. Massart,et al. A comparison of two algorithms for warping of analytical signals , 2002 .
[20] Berthold K. P. Horn,et al. Determining Optical Flow , 1981, Other Conferences.
[21] Lutgarde M. C. Buydens,et al. Evolutionary optimisation : a tutorial , 1998 .
[22] J. Lindon,et al. 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. , 1999, Xenobiotica; the fate of foreign compounds in biological systems.
[23] S. Wold,et al. PLS-regression: a basic tool of chemometrics , 2001 .
[24] J. Frisvad,et al. Full second-order chromatographic/spectrometric data matrices for automated sample identification and component analysis by non-data-reducing image analysis. , 1999, Analytical chemistry.
[25] Johann Gasteiger,et al. Neural Networks for Chemists: An Introduction , 1993 .
[26] M. Reily,et al. NMR of biofluids and pattern recognition: assessing the impact of NMR parameters on the principal component analysis of urine from rat and mouse. , 2001, Journal of pharmaceutical and biomedical analysis.
[27] Olav M. Kvalheim,et al. Prediction of physical properties of hydrocarbon mixtures by partial-least-squares calibration of carbon-13 nuclear magnetic resonance data , 1989 .
[28] Ian D. Wilson,et al. HIGH RESOLUTION PROTON MAGNETIC RESONANCE SPECTROSCOPY OF BIOLOGICAL FLUIDS , 1989 .
[29] Willem J. Melssen,et al. Automatic correction of peak shifts in Raman spectra before PLS regression , 2000 .
[30] J. Carstensen,et al. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping , 1998 .
[31] J. T. W. E. Vogels. A new method for classification of wines based on proton and carbon-13 NMR spectroscopy in combination with pattern recognition techniques. Chemometrics and Intelligent Laboratory Systems , 1993 .
[32] D. E. Goldberg,et al. Genetic Algorithms in Search , 1989 .