Characterization of 1H NMR spectroscopic data and the generation of synthetic validation sets
暂无分享,去创建一个
Michael L. Raymer | Travis E. Doom | Paul E. Anderson | Nicholas V. Reo | Nicholas J. DelRaso | Benjamin J. Kelly | Paul E. Anderson | M. Raymer | N. Reo | B. J. Kelly | N. DelRaso | T. Doom
[1] J. Nicholson,et al. Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics , 2002, Nature Medicine.
[2] M. Akke,et al. A statistical analysis of NMR spectrometer noise. , 2003, Journal of magnetic resonance.
[3] Donald G Robertson,et al. Metabonomics in toxicology: a review. , 2005, Toxicological sciences : an official journal of the Society of Toxicology.
[4] Mark Harrison,et al. Adaptive binning: An improved binning method for metabolomics data using the undecimated wavelet transform , 2007 .
[5] J. Trygg,et al. Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in 1H NMR spectroscopic metabonomic studies. , 2005, Analytical chemistry.
[6] O. Fiehn,et al. Identification and quantification of catecholamines in potato plants (Solanum tuberosum) by GC-MS. , 2001, Phytochemistry.
[7] M. Stephens. EDF Statistics for Goodness of Fit and Some Comparisons , 1974 .
[8] Steffen Neumann,et al. Critical assessment of alignment procedures for LC-MS proteomics and metabolomics measurements , 2008, BMC Bioinformatics.
[9] R Somorjai,et al. Detecting colorectal cancer by 1H magnetic resonance spectroscopy of fecal extracts , 2009, NMR in biomedicine.
[10] Michael A. Stephens,et al. Asymptotic Results for Goodness-of-Fit Statistics with Unknown Parameters , 1976 .
[11] H. Williams,et al. Metabolic profiling of genetic disorders: a multitissue (1)H nuclear magnetic resonance spectroscopic and pattern recognition study into dystrophic tissue. , 2001, Analytical biochemistry.
[12] Elaine Holmes,et al. NMR-based metabonomic studies on the biochemical effects of commonly used drug carrier vehicles in the rat. , 2002, Chemical research in toxicology.
[13] K. Krishnamoorthy. Handbook of statistical distributions with applications , 2006 .
[14] I. Schuppe-Koistinen,et al. Peak alignment of NMR signals by means of a genetic algorithm , 2003 .
[15] R. A. van den Berg,et al. Centering, scaling, and transformations: improving the biological information content of metabolomics data , 2006, BMC Genomics.
[16] Truman R. Brown,et al. NMR Spectral Quantitation by Principal Component Analysis. , 2002 .
[17] I. Wilson,et al. An NMR‐based metabonomic approach to investigate the biochemical consequences of genetic strain differences: application to the C57BL10J and Alpk:ApfCD mouse , 2000, FEBS letters.
[18] John C. Lindon,et al. Pattern recognition methods and applications in biomedical magnetic resonance , 2001 .
[19] Joel G Pounds,et al. A study of spectral integration and normalization in NMR-based metabonomic analyses. , 2005, Journal of pharmaceutical and biomedical analysis.
[20] R. E. Carlson,et al. Monotone Piecewise Cubic Interpolation , 1980 .
[21] E Holmes,et al. Chemometric analysis of biofluids following toxicant induced hepatotoxicity: A metabonomic approach to distinguish the effects of 1-naphthylisothiocyanate from its products , 2005, Xenobiotica; the fate of foreign compounds in biological systems.
[22] T. Ebbels,et al. NMR-based metabonomic toxicity classification: hierarchical cluster analysis and k-nearest-neighbour approaches , 2003 .
[23] O. Fiehn. Metabolomics – the link between genotypes and phenotypes , 2004, Plant Molecular Biology.
[24] M. Stephens. Tests of fit for the logistic distribution based on the empirical distribution function , 1979 .
[25] John C Lindon,et al. Earthworm species of the genus Eisenia can be phenotypically differentiated by metabolic profiling , 2002, FEBS letters.
[26] Johan Lindberg,et al. A comparison of methods for alignment of NMR peaks in the context of cluster analysis. , 2005, Journal of pharmaceutical and biomedical analysis.
[27] E Holmes,et al. Chemometric models for toxicity classification based on NMR spectra of biofluids. , 2000, Chemical research in toxicology.
[28] A. Smilde,et al. Large-scale human metabolomics studies: a strategy for data (pre-) processing and validation. , 2006, Analytical chemistry.
[29] Elaine Holmes,et al. Metabonomic applications in toxicity screening and disease diagnosis. , 2002, Current topics in medicinal chemistry.
[30] Ralf J. O. Torgrip,et al. Peak alignment using reduced set mapping , 2003 .
[31] Ian D Wilson,et al. HPLC-MS-based methods for the study of metabonomics. , 2005, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[32] Thomas J. Wang,et al. The search for new cardiovascular biomarkers , 2008, Nature.
[33] Thomas F. Coleman,et al. An Interior Trust Region Approach for Nonlinear Minimization Subject to Bounds , 1993, SIAM J. Optim..
[34] Thomas F. Coleman,et al. On the convergence of interior-reflective Newton methods for nonlinear minimization subject to bounds , 1994, Math. Program..
[35] N. Reo. NMR-BASED METABOLOMICS , 2002, Drug and chemical toxicology.
[36] C. Spearman. The proof and measurement of association between two things. , 2015, International journal of epidemiology.
[37] Christian Baumgartner,et al. Metabolite profiling of blood from individuals undergoing planned myocardial infarction reveals early markers of myocardial injury. , 2008, The Journal of clinical investigation.
[38] Michael A. Stephens,et al. Goodness of fit for the extreme value distribution , 1977 .
[39] Hugh M. Cartwright,et al. SpecAlign - processing and alignment of mass spectra datasets , 2005, Bioinform..
[40] H. Cartwright,et al. Application of fast Fourier transform cross-correlation for the alignment of large chromatographic and spectral datasets. , 2005, Analytical chemistry.
[41] T R Brown,et al. NMR spectral quantitation by principal component analysis. III. A generalized procedure for determination of lineshape variations. , 2002, Journal of magnetic resonance.