-
1
-
-
33747821142
-
-
Robertson, D. G.; Reily, M. D.; Baker, J. D. Metabonomics in preclinical drug development. Expert Opin. Drug Metab. Toxicol. 2005, 1 (3), 363-376.
-
Robertson, D. G.; Reily, M. D.; Baker, J. D. Metabonomics in preclinical drug development. Expert Opin. Drug Metab. Toxicol. 2005, 1 (3), 363-376.
-
-
-
-
3
-
-
0001681052
-
The Collinearity problem in linear regression. The partial least squares approach to generalized inverses
-
Wold, S.; Ruhe, A.; Wold, H.; Dunn, W. J., III The Collinearity problem in linear regression. The partial least squares approach to generalized inverses. SIAM J. Sci. Stat. Comput. 1984, 5 (3), 735-743.
-
(1984)
SIAM J. Sci. Stat. Comput
, vol.5
, Issue.3
, pp. 735-743
-
-
Wold, S.1
Ruhe, A.2
Wold, H.3
Dunn III, W.J.4
-
4
-
-
33847391495
-
-
Springer-Verlag: Heidelberg
-
Wold, S.; Martens, H.; Wold, H. Lecture Notes in Mathematics Proc. Conf. Matrix pencils, Piteå, Sweden; Springer-Verlag: Heidelberg, 1983.
-
(1983)
Lecture Notes in Mathematics Proc. Conf. Matrix pencils, Piteå, Sweden
-
-
Wold, S.1
Martens, H.2
Wold, H.3
-
5
-
-
0032563561
-
Experimental design and optimization
-
Lundstedt, T.; Seifert, E.; Abramo, L.; Thelin, B.; Nyström, A.; Pettersen, J.; Bergman R. Experimental design and optimization. Chemom. Intell. Lab. Syst. 1998, 42, 3-40.
-
(1998)
Chemom. Intell. Lab. Syst
, vol.42
, pp. 3-40
-
-
Lundstedt, T.1
Seifert, E.2
Abramo, L.3
Thelin, B.4
Nyström, A.5
Pettersen, J.6
Bergman, R.7
-
7
-
-
0003510115
-
-
Umetrics AB, Umeå, Sweden
-
Eriksson, L.; Johansson, E.; Kettaneh Wold, N.; Wikström, C.; Wold, S. Design of Experiments - principles and Applications, Umetrics AB, Umeå, Sweden, 1996.
-
(1996)
Design of Experiments - principles and Applications
-
-
Eriksson, L.1
Johansson, E.2
Kettaneh Wold, N.3
Wikström, C.4
Wold, S.5
-
8
-
-
4444272108
-
Statistical experimental design and partial least squares regression analysis of biofluid metabonomic NMR and clinical chemistry data for screening of adverse drug effects
-
Antti, H.; Ebbels, T. M. D.; Keun, H. C.; Bollard, M. E.; Beckonert, O.; Lindon, J. C.; Nicholson, J. K.; Holmes, E. Statistical experimental design and partial least squares regression analysis of biofluid metabonomic NMR and clinical chemistry data for screening of adverse drug effects. Chemom. Intell. Lab. Syst. 2004, 73, 139-149.
-
(2004)
Chemom. Intell. Lab. Syst
, vol.73
, pp. 139-149
-
-
Antti, H.1
Ebbels, T.M.D.2
Keun, H.C.3
Bollard, M.E.4
Beckonert, O.5
Lindon, J.C.6
Nicholson, J.K.7
Holmes, E.8
-
9
-
-
0001523230
-
The most predictable criterion
-
Hotelling, H. The most predictable criterion. J. Educ. Psychol. 1935, 26, 139-142.
-
(1935)
J. Educ. Psychol
, vol.26
, pp. 139-142
-
-
Hotelling, H.1
-
12
-
-
0027538427
-
Backpropagation neural networks - a tutorial
-
Wythoff, B. J. Backpropagation neural networks - a tutorial. Chemom. Intell. Lab. Syst. 1993, 18 (2), 115-155.
-
(1993)
Chemom. Intell. Lab. Syst
, vol.18
, Issue.2
, pp. 115-155
-
-
Wythoff, B.J.1
-
14
-
-
0022594196
-
An Introduction to Hidden Markov Models
-
January
-
Rabiner, L. R.; Juang, B. H. An Introduction to Hidden Markov Models. IEEE ASSP Mag., January, 1986.
-
(1986)
IEEE ASSP Mag
-
-
Rabiner, L.R.1
Juang, B.H.2
-
15
-
-
0036083139
-
Orthogonal projections to latent structures (O-PLS)
-
Trygg, J.; Wold S. Orthogonal projections to latent structures (O-PLS). J. Chemom. 2002, 16, 119-128.
-
(2002)
J. Chemom
, vol.16
, pp. 119-128
-
-
Trygg, J.1
Wold, S.2
-
16
-
-
0036085968
-
O2-PLS for qualitative and quantitative analysis in multivariate calibration
-
Trygg, J. O2-PLS for qualitative and quantitative analysis in multivariate calibration. J. Chemom. 2002, 16, 283-293.
-
(2002)
J. Chemom
, vol.16
, pp. 283-293
-
-
Trygg, J.1
-
17
-
-
0037282744
-
O2-PLS, a two-block (X-Y) latent variable regression (LVR) method with an integral OSC filter
-
Trygg, J.; Wold, S. O2-PLS, a two-block (X-Y) latent variable regression (LVR) method with an integral OSC filter. J. Chemom. 2003, 17, 53-64.
-
(2003)
J. Chemom
, vol.17
, pp. 53-64
-
-
Trygg, J.1
Wold, S.2
-
18
-
-
12244293657
-
Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in H-1 NMR spectroscopic metabonomic studies
-
Cloarec, O.; Dumas, M. E.; Trygg, J.; Craig, A.; Barton, R. H.; Lindon, J. C.; Nicholson, J. K.; Holmes, E. Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in H-1 NMR spectroscopic metabonomic studies. Anal. Chem. 2005, 77 (2), 517-526.
-
(2005)
Anal. Chem
, vol.77
, Issue.2
, pp. 517-526
-
-
Cloarec, O.1
Dumas, M.E.2
Trygg, J.3
Craig, A.4
Barton, R.H.5
Lindon, J.C.6
Nicholson, J.K.7
Holmes, E.8
-
19
-
-
85159503035
-
-
Bylesjö, M.; Rantalainen, M.; Cloarec, O.; Nicholson, J. K.; Holmes, E.; Trygg, J. OPLS Discriminant Analysis-Combining the strengths of PLS-DA and SIMCA classification. J. Chemom., 2006, in press.
-
Bylesjö, M.; Rantalainen, M.; Cloarec, O.; Nicholson, J. K.; Holmes, E.; Trygg, J. OPLS Discriminant Analysis-Combining the strengths of PLS-DA and SIMCA classification. J. Chemom., 2006, in press.
-
-
-
-
21
-
-
33847419148
-
Multivariate design
-
Wold, S.; Sjöström, M.; Carlson. R.; Lundstedt, T.; Hellberg, S.; Skageberg, B.; Wikström, C. Multivariate design. Anal. Chim. Acta 1986, 17, 191.
-
(1986)
Anal. Chim. Acta
, vol.17
, pp. 191
-
-
Wold, S.1
Sjöström, M.2
Carlson, R.3
Lundstedt, T.4
Hellberg, S.5
Skageberg, B.6
Wikström, C.7
-
22
-
-
0001775470
-
Scope of organic synthetic reactions. Multivariate methods for exploring the reaction space. An example of the Willgerodt-Kindler reaction
-
Carlson, R.; Lundstedt, T. Scope of organic synthetic reactions. Multivariate methods for exploring the reaction space. An example of the Willgerodt-Kindler reaction. Acta Chem. Scand. B 1987, 41, 164.
-
(1987)
Acta Chem. Scand. B
, vol.41
, pp. 164
-
-
Carlson, R.1
Lundstedt, T.2
-
23
-
-
0001845746
-
Screening of suitable solvents for organic synthesis, strategies for solvent selection
-
Carlson, R.; Lundstedt, T.; Albano, C. Screening of suitable solvents for organic synthesis, strategies for solvent selection. Acta Chem. Scand, B 1984, 39, 79.
-
(1984)
Acta Chem. Scand, B
, vol.39
, pp. 79
-
-
Carlson, R.1
Lundstedt, T.2
Albano, C.3
-
24
-
-
2742517976
-
A multivariate characterization of tRNA nucleosides
-
Sandberg, M.; Sjöström, M.; Jonsson, J. A multivariate characterization of tRNA nucleosides. J. Chemom. 1996, 10, 493-508.
-
(1996)
J. Chemom
, vol.10
, pp. 493-508
-
-
Sandberg, M.1
Sjöström, M.2
Jonsson, J.3
-
25
-
-
0042202919
-
-
Oprea, T. I.; Gottfries, J. Chemography: The art of navigating in chemical space. J. Comb. Chem. 2001, 3 (2), 157-166.
-
Oprea, T. I.; Gottfries, J. Chemography: The art of navigating in chemical space. J. Comb. Chem. 2001, 3 (2), 157-166.
-
-
-
-
26
-
-
0028829466
-
D-optimal designs
-
deAguiar, P. F.; Bourguignon, B.; Khots, M.; Massart, D. L.; PhanThanLuu R. D-optimal designs. Chemom. Intell. Lab. Syst. 1995, 30 (2), 199-210.
-
(1995)
Chemom. Intell. Lab. Syst
, vol.30
, Issue.2
, pp. 199-210
-
-
deAguiar, P.F.1
Bourguignon, B.2
Khots, M.3
Massart, D.L.4
PhanThanLuu, R.5
-
27
-
-
33847346752
-
-
The Standard Metabolic Reporting Structure, Version 2.3, Jan uary 13, 2006
-
The Standard Metabolic Reporting Structure, Version 2.3, http://www.smrsgroup.org/, Jan uary 13, 2006.
-
-
-
-
28
-
-
3242741850
-
Design of experiments: An efficient strategy to identify factors influencing extraction and derivatization of Arabidopsis thaliana samples in metabolomic studies with gas chromatography/mass spectrometry
-
Gullberg, J.; Jonsson, P.; Nordström, A.; Sjöström, M.; Moritz, T. Design of experiments: an efficient strategy to identify factors influencing extraction and derivatization of Arabidopsis thaliana samples in metabolomic studies with gas chromatography/mass spectrometry. Anal. Biochem. 2004, 331, 283-295.
-
(2004)
Anal. Biochem
, vol.331
, pp. 283-295
-
-
Gullberg, J.1
Jonsson, P.2
Nordström, A.3
Sjöström, M.4
Moritz, T.5
-
29
-
-
29344435772
-
Extraction and GC/MS. Analysis of the human blood plasma metabolome
-
Jiye, A.; Trygg, J.; Gullberg, J.; Johansson, A. I.; Jonsson. P.; Antti, H.; Marklund, S. L.; Moritz, T.; Extraction and GC/MS. Analysis of the human blood plasma metabolome. Anal. Chem. 2005, 77, 8086-8094.
-
(2005)
Anal. Chem
, vol.77
, pp. 8086-8094
-
-
Jiye, A.1
Trygg, J.2
Gullberg, J.3
Johansson, A.I.4
Jonsson, P.5
Antti, H.6
Marklund, S.L.7
Moritz, T.8
-
30
-
-
33645671556
-
Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: The INTERMAP Study
-
Dumas, M. E.; Maibaum, E. C.; Teague, C.; Ueshima, H.; Zhou, B.; Lindon, J. C.; Nicholson, J. K.; Stamler, J.; Elliott, P.; Chan, Q.; Holmes, E. Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: the INTERMAP Study. Anal. Chem. 2006, 78, 2199-208.
-
(2006)
Anal. Chem
, vol.78
, pp. 2199-2208
-
-
Dumas, M.E.1
Maibaum, E.C.2
Teague, C.3
Ueshima, H.4
Zhou, B.5
Lindon, J.C.6
Nicholson, J.K.7
Stamler, J.8
Elliott, P.9
Chan, Q.10
Holmes, E.11
-
31
-
-
26844461471
-
Selection of biomarkers by a multivariate statistical processing of composite metabonomic data sets using multiple factor analysis
-
Dumas, M. E.; Canlet, C.; Debrauwer, L.; Martin, P.; Paris, A. Selection of biomarkers by a multivariate statistical processing of composite metabonomic data sets using multiple factor analysis. J. Proteome Res. 2005, 4, 1485-1492.
-
(2005)
J. Proteome Res
, vol.4
, pp. 1485-1492
-
-
Dumas, M.E.1
Canlet, C.2
Debrauwer, L.3
Martin, P.4
Paris, A.5
-
32
-
-
1542408614
-
A strategy for extracting information from large series of non-processed complex GC/MS data
-
Jonsson, P.; Gullberg, J.; Nordström, A.; Kowalczyk, M.; Sjöström, M.; Moritz, T. A strategy for extracting information from large series of non-processed complex GC/MS data. Anal. Chem. 2004, 76, 1738-1745.
-
(2004)
Anal. Chem
, vol.76
, pp. 1738-1745
-
-
Jonsson, P.1
Gullberg, J.2
Nordström, A.3
Kowalczyk, M.4
Sjöström, M.5
Moritz, T.6
-
33
-
-
21044447078
-
Extraction, interpretation and validation of information for comparing samples in metabolic LC/MS data sets
-
Jonsson, P.; Bruce, S. J.; Moritz, T.; Trygg, J.; Sjöström, M.; Plumb, R.; Granger, J.; Maibaum, E.; Nicholson, J. K.; Holmes, E.; Antti, H. Extraction, interpretation and validation of information for comparing samples in metabolic LC/MS data sets. Analyst 2005, 130, 701-707.
-
(2005)
Analyst
, vol.130
, pp. 701-707
-
-
Jonsson, P.1
Bruce, S.J.2
Moritz, T.3
Trygg, J.4
Sjöström, M.5
Plumb, R.6
Granger, J.7
Maibaum, E.8
Nicholson, J.K.9
Holmes, E.10
Antti, H.11
-
34
-
-
0032991929
-
Deconvolution gas chromatography mass spectrometry of urinary organic acids - Potential for pattern recognition and automated identification of metabolic disorders
-
Halket, J. M.; Przyborowska, A.; Stein, S. E.; Mallard, W. G.; Down, S.; Chalmers R. A. Deconvolution gas chromatography mass spectrometry of urinary organic acids - Potential for pattern recognition and automated identification of metabolic disorders. Rapid Commun. Mass Spectrom. 1999, 13, 279-284.
-
(1999)
Rapid Commun. Mass Spectrom
, vol.13
, pp. 279-284
-
-
Halket, J.M.1
Przyborowska, A.2
Stein, S.E.3
Mallard, W.G.4
Down, S.5
Chalmers, R.A.6
-
35
-
-
0035914585
-
Automated curve resolution applied to data from multi-detection instruments
-
Shen, H. L.; Grung, B.; Kvalheim, O. M.; Eide. I. Automated curve resolution applied to data from multi-detection instruments. Anal. Chim. Acta 2001, 446 (1-2), 313-328.
-
(2001)
Anal. Chim. Acta
, vol.446
, Issue.1-2
, pp. 313-328
-
-
Shen, H.L.1
Grung, B.2
Kvalheim, O.M.3
Eide, I.4
-
36
-
-
33745045937
-
Predictive metabolite profiling applying hierarchical multivariate curve resolution to GC-MS data-A potential tool for multi-parametric diagnosis
-
Jonsson, P.; Sjövik Johansson, E.; Wuolikainen, A.; Lindberg, J.; Schuppe-Koistinen, I.; Kusano, M.; Sjöström, M.; Trygg, J.; Moritz, T.; Antti, H. Predictive metabolite profiling applying hierarchical multivariate curve resolution to GC-MS data-A potential tool for multi-parametric diagnosis. J. Proteome Res. 2006, 5 (6), 1407-1414.
-
(2006)
J. Proteome Res
, vol.5
, Issue.6
, pp. 1407-1414
-
-
Jonsson, P.1
Sjövik Johansson, E.2
Wuolikainen, A.3
Lindberg, J.4
Schuppe-Koistinen, I.5
Kusano, M.6
Sjöström, M.7
Trygg, J.8
Moritz, T.9
Antti, H.10
-
37
-
-
1042291324
-
Peak alignment using reduced set mapping
-
Torgrip, R. J. O.; Aberg, M.; Karlberg, B.; Jacobsson, S. P. Peak alignment using reduced set mapping. J. Chemom.2003, 17 (11), 573-582.
-
(2003)
J. Chemom
, vol.17
, Issue.11
, pp. 573-582
-
-
Torgrip, R.J.O.1
Aberg, M.2
Karlberg, B.3
Jacobsson, S.P.4
-
38
-
-
0027133151
-
A new method for classification of wines based on proton and carbon-13 NMR spectroscopy in combination with pattern recognition techniques
-
Vogels, J. T. W. E.; Tas, A. C.; van den Berg, F.; van der Greef, J. A new method for classification of wines based on proton and carbon-13 NMR spectroscopy in combination with pattern recognition techniques. Chemom. Intell. Lab. Syst. 1993, 21, 2-3, 249-258.
-
(1993)
Chemom. Intell. Lab. Syst
, vol.21
-
-
Vogels, J.T.W.E.1
Tas, A.C.2
van den Berg, F.3
van der Greef, J.4
-
39
-
-
0032517858
-
The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine
-
Holmes, E.; Nicholson, J. K.; Nicholls, A. W.; Lindon, J. C.; Connor, S. C.; Polley, S.; Connelly, J. The identification of novel biomarkers of renal toxicity using automatic data reduction techniques and PCA of proton NMR spectra of urine. Chemom. Intell. Lab. Syst. 1998, 44, 245-255.
-
(1998)
Chemom. Intell. Lab. Syst
, vol.44
, pp. 245-255
-
-
Holmes, E.1
Nicholson, J.K.2
Nicholls, A.W.3
Lindon, J.C.4
Connor, S.C.5
Polley, S.6
Connelly, J.7
-
40
-
-
4544379591
-
Automatic alignment of individual peaks in large high-resolution spectral data sets
-
Stoyanova, R.; Nicholls, A. W.; Nicholson, J. K.; Lindon, J. C.; Brown, T. R. Automatic alignment of individual peaks in large high-resolution spectral data sets. J. Magn. Reson. 2004, 170, 329-35.
-
(2004)
J. Magn. Reson
, vol.170
, pp. 329-335
-
-
Stoyanova, R.1
Nicholls, A.W.2
Nicholson, J.K.3
Lindon, J.C.4
Brown, T.R.5
-
41
-
-
23644457673
-
A comparison of methods for alignment of NMR peaks in the context of cluster analysis
-
Forshed, J. R.; Torgrip, J. O.; Aberg, K. M.; Karlberg, B.; Lindberg, J.; Jacobsson, S. P. A comparison of methods for alignment of NMR peaks in the context of cluster analysis. J. Pharm. Biomed. Anal. 2005, 38, 824-832.
-
(2005)
J. Pharm. Biomed. Anal
, vol.38
, pp. 824-832
-
-
Forshed, J.R.1
Torgrip, J.O.2
Aberg, K.M.3
Karlberg, B.4
Lindberg, J.5
Jacobsson, S.P.6
-
42
-
-
0038121709
-
Peak alignment of NMR signals by means of a genetic algorithm
-
Forshed, J.; Schuppe-Koistinen, I.; Jacobsson, S. P. Peak alignment of NMR signals by means of a genetic algorithm. Anal. Chim. Acta 2003, 487, 189-199.
-
(2003)
Anal. Chim. Acta
, vol.487
, pp. 189-199
-
-
Forshed, J.1
Schuppe-Koistinen, I.2
Jacobsson, S.P.3
-
43
-
-
2442621332
-
Beam search for peak alignment of NMR signals
-
Lee, G. C.; Woodruff, D. L. Beam search for peak alignment of NMR signals. Anal. Chim. Acta 2004, 513, 413-416.
-
(2004)
Anal. Chim. Acta
, vol.513
, pp. 413-416
-
-
Lee, G.C.1
Woodruff, D.L.2
-
44
-
-
0001038967
-
The generalization of Student's ratio
-
Hotelling, H. The generalization of Student's ratio. Ann. Math. Stat. 1931, 2, 360-378.
-
(1931)
Ann. Math. Stat
, vol.2
, pp. 360-378
-
-
Hotelling, H.1
-
45
-
-
0003826721
-
-
Umetrics AB, Umeå, Sweden
-
Eriksson, L.; Johansson, E.; Kettaneh Wold, N.; Wold, S. Multi and Megavariate Data Analysis; Umetrics AB, Umeå, Sweden, 2001.
-
(2001)
Multi and Megavariate Data Analysis
-
-
Eriksson, L.1
Johansson, E.2
Kettaneh Wold, N.3
Wold, S.4
-
46
-
-
0001606671
-
Contribution plots: A missing link in multivariate quality control
-
Miller, P.; Swanson, R. E.; Heckler, C. E. Contribution plots: A missing link in multivariate quality control. Appl. Math. Comp. Sci. 1998, 8 (4), 775-792.
-
(1998)
Appl. Math. Comp. Sci
, vol.8
, Issue.4
, pp. 775-792
-
-
Miller, P.1
Swanson, R.E.2
Heckler, C.E.3
-
47
-
-
22444448484
-
Investigations into biochemical changes of genetic hypertensive rats using 1H nuclear magnetic resonance-based metabonomics
-
Akira, K.; Imachi, M.; Hashimoto, T. Investigations into biochemical changes of genetic hypertensive rats using 1H nuclear magnetic resonance-based metabonomics. Hypertens. Res. 2005, 28, 425-430.
-
(2005)
Hypertens. Res
, vol.28
, pp. 425-430
-
-
Akira, K.1
Imachi, M.2
Hashimoto, T.3
-
48
-
-
8844261879
-
Diagnosis of liver cancer using HPLC-based metabonomics avoiding false-positive result from hepatitis and hepatocirrhosis diseases
-
Yang, J.; Xu, G.; Zheng, Y.; Kong, H.; Pang, T.; Lv, S.; Yang, Q. Diagnosis of liver cancer using HPLC-based metabonomics avoiding false-positive result from hepatitis and hepatocirrhosis diseases. J. Chromatogr., B: Anal. Technol. Biomed. Life Sci. 2004, 813, 59-65.
-
(2004)
J. Chromatogr., B: Anal. Technol. Biomed. Life Sci
, vol.813
, pp. 59-65
-
-
Yang, J.1
Xu, G.2
Zheng, Y.3
Kong, H.4
Pang, T.5
Lv, S.6
Yang, Q.7
-
49
-
-
0345490738
-
A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects
-
Lenz, E. M.; Bright, J.; Wilson, I. D.; Morgan, S. R.; Nash, A. F. A 1H NMR-based metabonomic study of urine and plasma samples obtained from healthy human subjects. J. Pharm. Biomed. Anal. 2003, 33, 1103-1115.
-
(2003)
J. Pharm. Biomed. Anal
, vol.33
, pp. 1103-1115
-
-
Lenz, E.M.1
Bright, J.2
Wilson, I.D.3
Morgan, S.R.4
Nash, A.F.5
-
50
-
-
0242690435
-
Spectral editing and pattern recognition methods applied to high-resolution magic-angle spinning 1H nuclear magnetic resonance spectroscopy of liver tissues
-
Wang, Y.; Bollard, M. E.; Keun, H.; Antti, H.; Beckonert, O.; Ebbels, T. M.; Lindon, J. C.; Holmes, E.; Tang, H.; Nicholson, J. K. Spectral editing and pattern recognition methods applied to high-resolution magic-angle spinning 1H nuclear magnetic resonance spectroscopy of liver tissues. Anal. Biochem. 2003, 323, 26-32.
-
(2003)
Anal. Biochem
, vol.323
, pp. 26-32
-
-
Wang, Y.1
Bollard, M.E.2
Keun, H.3
Antti, H.4
Beckonert, O.5
Ebbels, T.M.6
Lindon, J.C.7
Holmes, E.8
Tang, H.9
Nicholson, J.K.10
-
51
-
-
85153554991
-
-
Plumb, R. S.; Stumpf, C. L.; Gorenstein, M. V.; Castro-Perez, J. M.; Dear, G. J.; Anthony, M.; Sweatman, B. C.; Connor, S. C.; Haselden, J. N. Metabonomics: The use of electrospray mass spectrometry coupled to reversed-phase liquid chromatography shows potential for the screening of rat urine in drug development. Rapid. Commun. Mass. Spectrom. 2002, 16, 1991-1996.
-
Plumb, R. S.; Stumpf, C. L.; Gorenstein, M. V.; Castro-Perez, J. M.; Dear, G. J.; Anthony, M.; Sweatman, B. C.; Connor, S. C.; Haselden, J. N. Metabonomics: The use of electrospray mass spectrometry coupled to reversed-phase liquid chromatography shows potential for the screening of rat urine in drug development. Rapid. Commun. Mass. Spectrom. 2002, 16, 1991-1996.
-
-
-
-
52
-
-
0033795182
-
-
Robertson, D. G.; Reily, M. D.; Sigler, R. E.; Wells, D. F.; Paterson, D. A.; Braden, T. K. Metabonomics: Evaluation of nuclear magnetic resonance (NMR) and pattern recognition technology for rapid in vivo screening of liver and kidney toxicants. Toxicol. Sci. 2000, 57, 326-337.
-
Robertson, D. G.; Reily, M. D.; Sigler, R. E.; Wells, D. F.; Paterson, D. A.; Braden, T. K. Metabonomics: Evaluation of nuclear magnetic resonance (NMR) and pattern recognition technology for rapid in vivo screening of liver and kidney toxicants. Toxicol. Sci. 2000, 57, 326-337.
-
-
-
-
53
-
-
33748698640
-
Taxonomic discrimination of cyanobacteria by metabolic fingerprinting using proton nuclear magnetic resonance spectra and multivariate statistical analysis
-
Kim, S. W.; Ban, S. H.; Ahn, C. Y.; Oh, H. M.; Chung, H.; Cho, S. H.; Park, Y. M.; Liu, J. R. Taxonomic discrimination of cyanobacteria by metabolic fingerprinting using proton nuclear magnetic resonance spectra and multivariate statistical analysis. J. Plant Biol. 2006, 49, 271-275.
-
(2006)
J. Plant Biol
, vol.49
, pp. 271-275
-
-
Kim, S.W.1
Ban, S.H.2
Ahn, C.Y.3
Oh, H.M.4
Chung, H.5
Cho, S.H.6
Park, Y.M.7
Liu, J.R.8
-
54
-
-
33744904488
-
Multivariate analysis of integrated and full-resolution H-1-NMR spectral data from complex pharmaceutical preparations: St. John's wort
-
Rasmussen, B.; Cloarec, O.; Tang, H. R.; Staerk, D.; Jaroszewski, J. W. Multivariate analysis of integrated and full-resolution H-1-NMR spectral data from complex pharmaceutical preparations: St. John's wort. Planta Med. 2006, 72, 556-563.
-
(2006)
Planta Med
, vol.72
, pp. 556-563
-
-
Rasmussen, B.1
Cloarec, O.2
Tang, H.R.3
Staerk, D.4
Jaroszewski, J.W.5
-
55
-
-
33646724060
-
Combining desorption electrospray ionization mass spectrometry and nuclear magnetic resonance for differential metabolomics without sample preparation
-
Chen, H. W.; Pan, Z. Z.; Talaty, N.; Raftery, D.; Cooks, R. G. Combining desorption electrospray ionization mass spectrometry and nuclear magnetic resonance for differential metabolomics without sample preparation. Rapid. Commun. Mass Spectrom. 2006, 20, 1577-1584.
-
(2006)
Rapid. Commun. Mass Spectrom
, vol.20
, pp. 1577-1584
-
-
Chen, H.W.1
Pan, Z.Z.2
Talaty, N.3
Raftery, D.4
Cooks, R.G.5
-
56
-
-
28844433017
-
Negative impact of noise on the principal component analysis of NMR data
-
Halouska, S.; Powers, R. Negative impact of noise on the principal component analysis of NMR data. J. Magn. Reson. 2006, 178, 88-95.
-
(2006)
J. Magn. Reson
, vol.178
, pp. 88-95
-
-
Halouska, S.1
Powers, R.2
-
57
-
-
0016973661
-
Pattern recognition by means of disjoint principal components models
-
Wold, S. Pattern recognition by means of disjoint principal components models. Pattern Recognit. 1976, 8, 127-139.
-
(1976)
Pattern Recognit
, vol.8
, pp. 127-139
-
-
Wold, S.1
-
58
-
-
26844479548
-
Homeostatic signature of anabolic steroids in cattle using H-1-C-13 HMBC NMR metabonomics
-
Dumas, M. E.; Canlet, C.; Vercauteren, J.; Andre, F.; Paris, A. Homeostatic signature of anabolic steroids in cattle using H-1-C-13 HMBC NMR metabonomics. J. Proteome Res. 2005, 4, 1493-1502.
-
(2005)
J. Proteome Res
, vol.4
, pp. 1493-1502
-
-
Dumas, M.E.1
Canlet, C.2
Vercauteren, J.3
Andre, F.4
Paris, A.5
-
59
-
-
19944426814
-
Detection of epithelial ovarian cancer using 1H-NMR-based metabonomics
-
Odunsi, K. R.; Wollman, M.; Ambrosone, C. B.; Hutson, A.; McCann, S. E.; Tammela, J.; Geisler, J. P.; Miller, G.; Sellers, T.; Cliby, W.; Qian, F.; Keitz, B.; Intengan, M.; Lele, S.; Alderfer, J. L. Detection of epithelial ovarian cancer using 1H-NMR-based metabonomics. Int. J. Cancer 2005, 113, 782-788.
-
(2005)
Int. J. Cancer
, vol.113
, pp. 782-788
-
-
Odunsi, K.R.1
Wollman, M.2
Ambrosone, C.B.3
Hutson, A.4
McCann, S.E.5
Tammela, J.6
Geisler, J.P.7
Miller, G.8
Sellers, T.9
Cliby, W.10
Qian, F.11
Keitz, B.12
Intengan, M.13
Lele, S.14
Alderfer, J.L.15
-
60
-
-
0034130232
-
Chemometric models for toxicity classification based on NMR spectra of biofluids
-
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. Chemometric models for toxicity classification based on NMR spectra of biofluids. Chem. Res. Toxicol. 2000, 13, 471-478.
-
(2000)
Chem. Res. Toxicol
, vol.13
, pp. 471-478
-
-
Holmes, E.1
Nicholls, A.W.2
Lindon, J.C.3
Connor, S.C.4
Connelly, J.C.5
Haselden, J.N.6
Damment, S.J.7
Spraul, M.8
Neidig, P.9
Nicholson, J.K.10
-
61
-
-
32344438563
-
Metabolic phenotyping of nude and normal (Alpk : ApfCD, C57BL10J) mice
-
McKee, C. L. G.; Wilson, I. D.; Nicholson, J. K. Metabolic phenotyping of nude and normal (Alpk : ApfCD, C57BL10J) mice. J. Proteome Res. 2006, 5, 378-384.
-
(2006)
J. Proteome Res
, vol.5
, pp. 378-384
-
-
McKee, C.L.G.1
Wilson, I.D.2
Nicholson, J.K.3
-
62
-
-
0003122173
-
PLS in Chemistry
-
Schleyer, P. V. R, Ed, John Wiley & Sons: New York
-
Wold, S.; Eriksson, L.; Sjöström, M. PLS in Chemistry. Encyclopedia of Computational Chemistry; Schleyer, P. V. R., Ed.; John Wiley & Sons: New York, 1998; pp2006-2016.
-
(1998)
Encyclopedia of Computational Chemistry
, pp. 2006-2016
-
-
Wold, S.1
Eriksson, L.2
Sjöström, M.3
-
63
-
-
0002194587
-
Multivariate Data Analysis in Chemistry
-
138, D; Reidel Publ. Co, Dordrecht, Holland
-
Wold, S.; Albano, C.; Dunn, W. J., III; Edlund, U.; Esbensen, K.; Geladi, P.; Hellberg, S.; Johansson. E.; Lindberg, W.; Sjöström, M. In Multivariate Data Analysis in Chemistry, NATO ASI Series C 138, D; Reidel Publ. Co.: Dordrecht, Holland, 1984.
-
(1984)
NATO ASI Series
, vol.100
-
-
Wold, S.1
Albano, C.2
Dunn III, W.J.3
Edlund, U.4
Esbensen, K.5
Geladi, P.6
Hellberg, S.7
Johansson, E.8
Lindberg, W.9
Sjöström, M.10
-
64
-
-
21644479604
-
Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis
-
Wang, C. H.; Kong, W.; Guan, Y. F.; Yang, J.; Gu, J. R.; Yang, S. L.; Xu, G. W. Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis. Anal. Chem. 2005, 77, 4108-4116.
-
(2005)
Anal. Chem
, vol.77
, pp. 4108-4116
-
-
Wang, C.H.1
Kong, W.2
Guan, Y.F.3
Yang, J.4
Gu, J.R.5
Yang, S.L.6
Xu, G.W.7
-
65
-
-
21644479604
-
Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis
-
Wang, C.; Kong, H.; Guan, Y.; Yang, J.; Gu, J.; Yang, S.; Xu, G. Plasma phospholipid metabolic profiling and biomarkers of type 2 diabetes mellitus based on high-performance liquid chromatography/electrospray mass spectrometry and multivariate statistical analysis. Anal. Chem. 2005, 77, 4108-4116.
-
(2005)
Anal. Chem
, vol.77
, pp. 4108-4116
-
-
Wang, C.1
Kong, H.2
Guan, Y.3
Yang, J.4
Gu, J.5
Yang, S.6
Xu, G.7
-
66
-
-
33744930345
-
Metabolite projection analysis for fast identification of metabolites in metabonomics. Application in an amiodarone study
-
Dieterle, F.; Ross, A.; Schlotterbeck, G.; Senn, H. Metabolite projection analysis for fast identification of metabolites in metabonomics. Application in an amiodarone study. Anal. Chem. 2006, 78, 3551-3561.
-
(2006)
Anal. Chem
, vol.78
, pp. 3551-3561
-
-
Dieterle, F.1
Ross, A.2
Schlotterbeck, G.3
Senn, H.4
-
67
-
-
33748316468
-
Metabonomics study of intestinal fistulas based on ultraperformance liquid chromatography coupled with Q-TOF mass spectrometry (UPLC/Q-TOF MS)
-
Yin, P.; Zhao, X.; Li, Q.; Wang, J.; Li, J.; Xu, G. Metabonomics study of intestinal fistulas based on ultraperformance liquid chromatography coupled with Q-TOF mass spectrometry (UPLC/Q-TOF MS). J. Proteome Res. 2006, 5, 2135-2143.
-
(2006)
J. Proteome Res
, vol.5
, pp. 2135-2143
-
-
Yin, P.1
Zhao, X.2
Li, Q.3
Wang, J.4
Li, J.5
Xu, G.6
-
68
-
-
31344450644
-
Metabolic profiling using principal component analysis, discriminant partial least squares, and genetic algorithms
-
Ramadan, Z.; Jacobs, D.; Grigorov, M.; Kochhar, S. Metabolic profiling using principal component analysis, discriminant partial least squares, and genetic algorithms. Talanta 2006, 68, 1683-1691.
-
(2006)
Talanta
, vol.68
, pp. 1683-1691
-
-
Ramadan, Z.1
Jacobs, D.2
Grigorov, M.3
Kochhar, S.4
-
69
-
-
20444391731
-
H-1 NMR-based metabonomics for the diagnosis of inborn errors of metabolism in urine
-
Constantinou, M. A.; Papakonstantinou, E.; Spraul, M.; Sevastiadou, S.; Costalos, C.; Koupparis, M. A.; Shulpis, K.; Tsantili-Kakoulidou, A.; Mikros, E. H-1 NMR-based metabonomics for the diagnosis of inborn errors of metabolism in urine. Anal. Chim. Acta 2005, 542, 169-177.
-
(2005)
Anal. Chim. Acta
, vol.542
, pp. 169-177
-
-
Constantinou, M.A.1
Papakonstantinou, E.2
Spraul, M.3
Sevastiadou, S.4
Costalos, C.5
Koupparis, M.A.6
Shulpis, K.7
Tsantili-Kakoulidou, A.8
Mikros, E.9
-
70
-
-
33644835571
-
High performance liquid chromatography-mass spectrometry for metabonomics: Potential biomarkers for acute deterioration of liver function in chronic hepatitis B
-
Yang, J.; Zhao, X.; Liu, X.; Wang, C.; Gao, P.; Wang, J.; Li, L.; Gu, J.; Yang, S.; Xu, G. High performance liquid chromatography-mass spectrometry for metabonomics: potential biomarkers for acute deterioration of liver function in chronic hepatitis B. J. Proteome Res. 2006, 5, 554-561.
-
(2006)
J. Proteome Res
, vol.5
, pp. 554-561
-
-
Yang, J.1
Zhao, X.2
Liu, X.3
Wang, C.4
Gao, P.5
Wang, J.6
Li, L.7
Gu, J.8
Yang, S.9
Xu, G.10
-
71
-
-
0036913503
-
Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics
-
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. Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics. Nat. Med. 2002, 8, 1439-1444.
-
(2002)
Nat. Med
, vol.8
, pp. 1439-1444
-
-
Brindle, J.T.1
Antti, H.2
Holmes, E.3
Tranter, G.4
Nicholson, J.K.5
Bethell, H.W.6
Clarke, S.7
Schofield, P.M.8
McKilligin, E.9
Mosedale, D.E.10
Grainger, D.J.11
-
72
-
-
33144456906
-
Metabonomics and biomarker discovery: LC-MS metabolic profiling and constant neutral loss scanning combined with multivariate data analysis for mercapturic acid analysis
-
Wagner, S.; Scholz, K.; Donegan, M.; Burton, L.; Wingate, J.; Volkel, W. Metabonomics and biomarker discovery: LC-MS metabolic profiling and constant neutral loss scanning combined with multivariate data analysis for mercapturic acid analysis. Anal. Chem. 2006, 78, 1296-1305.
-
(2006)
Anal. Chem
, vol.78
, pp. 1296-1305
-
-
Wagner, S.1
Scholz, K.2
Donegan, M.3
Burton, L.4
Wingate, J.5
Volkel, W.6
-
73
-
-
20044366919
-
Statistical total correlation spectroscopy: An exploratory approach for latent biomarker identification from metabolic H-1 NMR data sets
-
Cloarec, O. M.; Dumas, E.; Craig, A.; Barton, R. H.; Trygg, J.; Hudson, J.; Blancher, C.; Gauguier, D.; Lindon, J. C.; Holmes, E.; Nicholson, J. Statistical total correlation spectroscopy: An exploratory approach for latent biomarker identification from metabolic H-1 NMR data sets. Anal. Chem. 2005, 77, 1282-1289.
-
(2005)
Anal. Chem
, vol.77
, pp. 1282-1289
-
-
Cloarec, O.M.1
Dumas, E.2
Craig, A.3
Barton, R.H.4
Trygg, J.5
Hudson, J.6
Blancher, C.7
Gauguier, D.8
Lindon, J.C.9
Holmes, E.10
Nicholson, J.11
-
74
-
-
33750213694
-
Susceptibility of human metabolic phenotypes to dietary modulation
-
Stella, C.; Beckwith-Hall, B.; Cloarec, O.; Holmes, E.; Lindon, J. C.; Powell, J.; van der Ouderaa, F.; Bingham, S.; Cross, A. J.; Nicholson, J. K. Susceptibility of human metabolic phenotypes to dietary modulation. J. Proteome Res. 2006, 5, 2780-2788.
-
(2006)
J. Proteome Res
, vol.5
, pp. 2780-2788
-
-
Stella, C.1
Beckwith-Hall, B.2
Cloarec, O.3
Holmes, E.4
Lindon, J.C.5
Powell, J.6
van der Ouderaa, F.7
Bingham, S.8
Cross, A.J.9
Nicholson, J.K.10
-
75
-
-
1642345498
-
Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse
-
Coen, M.; Ruepp, S. U.; Lindon, J. C.; Nicholson, J. K.; Pognan, F.; Lenz, E. M.; Wilson, I. D. Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse. J. Pharm. Biomed. Anal. 2004, 35, 93-105.
-
(2004)
J. Pharm. Biomed. Anal
, vol.35
, pp. 93-105
-
-
Coen, M.1
Ruepp, S.U.2
Lindon, J.C.3
Nicholson, J.K.4
Pognan, F.5
Lenz, E.M.6
Wilson, I.D.7
-
76
-
-
21444443325
-
ANOVA-simultaneous, component analysis (ASCA): A new tool for analyzing designed metabolomics data
-
Smilde, A. K.; Jansen, J. J.; Hoefsloot, H. C. J.; Lamers, R. J. A. N.; van der Greef, J.; Timmerman, M. E. ANOVA-simultaneous, component analysis (ASCA): A new tool for analyzing designed metabolomics data. Bioinformatics 2005, 21, 3043-3048.
-
(2005)
Bioinformatics
, vol.21
, pp. 3043-3048
-
-
Smilde, A.K.1
Jansen, J.J.2
Hoefsloot, H.C.J.3
Lamers, R.J.A.N.4
van der Greef, J.5
Timmerman, M.E.6
-
77
-
-
33749012286
-
Application of metabonomics in a compound ranking study in early drug development revealing drug-induced excretion of choline into urine
-
Dieterle, F.; Schlotterbeck, G. T.; Ross, A.; Niederhauser, U.; Senn, H. Application of metabonomics in a compound ranking study in early drug development revealing drug-induced excretion of choline into urine. Chem. Res. Toxicol. 2006, 19, 1175-1181.
-
(2006)
Chem. Res. Toxicol
, vol.19
, pp. 1175-1181
-
-
Dieterle, F.1
Schlotterbeck, G.T.2
Ross, A.3
Niederhauser, U.4
Senn, H.5
-
78
-
-
20144388102
-
Comparative metabonomics of differential hydrazine toxicity in the rat and mouse
-
Bollard, M. E.; Keun, H. C.; Beckonert, O.; Ebbels, T. M.; Antti, H.; Nicholls, A. W.; Shockcor, J. P.; Cantor, G. H.; Stevens, G.; Lindon, J. C.; Holmes, E.; Nicholson, J. K. Comparative metabonomics of differential hydrazine toxicity in the rat and mouse. Toxicol. Appl. Pharmacol. 2005, 204, 135-151.
-
(2005)
Toxicol. Appl. Pharmacol
, vol.204
, pp. 135-151
-
-
Bollard, M.E.1
Keun, H.C.2
Beckonert, O.3
Ebbels, T.M.4
Antti, H.5
Nicholls, A.W.6
Shockcor, J.P.7
Cantor, G.H.8
Stevens, G.9
Lindon, J.C.10
Holmes, E.11
Nicholson, J.K.12
-
79
-
-
2442651602
-
Geometric trajectory analysis of metabolic responses to toxicity can define treatment specific profiles
-
Keun, H. C.; Ebbels, T. M.; Bollard, M. E.; Beckonert, O.; Antti, H.; Holmes, E.; Lindon, J. C.; Nicholson, J. K. Geometric trajectory analysis of metabolic responses to toxicity can define treatment specific profiles. Chem. Res, Toxicol. 2004, 17, 579-587.
-
(2004)
Chem. Res, Toxicol
, vol.17
, pp. 579-587
-
-
Keun, H.C.1
Ebbels, T.M.2
Bollard, M.E.3
Beckonert, O.4
Antti, H.5
Holmes, E.6
Lindon, J.C.7
Nicholson, J.K.8
-
80
-
-
33747877512
-
A metabonomics study of the hepatotoxicants galactosamine, methylene dianiline and clofibrate in rats
-
Ishihara, K.; Katsutani, N.; Aoki, T. A metabonomics study of the hepatotoxicants galactosamine, methylene dianiline and clofibrate in rats. Basic Clin. Pharmacol. Toxicol. 2006, 99, 251-260.
-
(2006)
Basic Clin. Pharmacol. Toxicol
, vol.99
, pp. 251-260
-
-
Ishihara, K.1
Katsutani, N.2
Aoki, T.3
-
81
-
-
32344432945
-
The metabonomics of aging and development in the rat: An investigation into the effect of age on the profile of endogenous metabolites in the urine of male rats using 1H NMR and HPLC-TOF MS
-
Williams, R. E.; Lenz, E. M.; Lowden, J. S.; Rantalainen, M.; Wilson, I. D. The metabonomics of aging and development in the rat: an investigation into the effect of age on the profile of endogenous metabolites in the urine of male rats using 1H NMR and HPLC-TOF MS. Mol. Biosyst. 2005, 1, 166-175.
-
(2005)
Mol. Biosyst
, vol.1
, pp. 166-175
-
-
Williams, R.E.1
Lenz, E.M.2
Lowden, J.S.3
Rantalainen, M.4
Wilson, I.D.5
-
82
-
-
33644849267
-
The comparative metabonomics of age-related changes in the urinary composition of male Wistar-derived and Zucker (fa/fa) obese rats
-
Williams, R. E.; Lenz, E. M.; Rantalainen, M.; Wilson, I. D. The comparative metabonomics of age-related changes in the urinary composition of male Wistar-derived and Zucker (fa/fa) obese rats. Mol. Biosyst. 2006, 2, 193-202.
-
(2006)
Mol. Biosyst
, vol.2
, pp. 193-202
-
-
Williams, R.E.1
Lenz, E.M.2
Rantalainen, M.3
Wilson, I.D.4
-
83
-
-
33645949094
-
An integrated study of acute effects of valproic acid in the liver using metabonomics, proteomics, and transcriptomics platforms
-
Schnackenberg, L. K.; Jones, R. C.; Thyparambil, S.; Taylor, J. T.; Han, T.; Tong, W.; Hansen, D. K.; Fuscoe, J. C.; Edmondson, R. D.; Beger, R. D.; Dragan, Y. P. An integrated study of acute effects of valproic acid in the liver using metabonomics, proteomics, and transcriptomics platforms. OMICS 2006, 10, 1-14.
-
(2006)
OMICS
, vol.10
, pp. 1-14
-
-
Schnackenberg, L.K.1
Jones, R.C.2
Thyparambil, S.3
Taylor, J.T.4
Han, T.5
Tong, W.6
Hansen, D.K.7
Fuscoe, J.C.8
Edmondson, R.D.9
Beger, R.D.10
Dragan, Y.P.11
-
84
-
-
20144388102
-
Comparative metabonomics of differential hydrazine toxicity in the rat and mouse
-
Bollard, M. E.; Keun, H. C.; Beckonert, O.; Ebbels, T. M. D.; Antti, H.; Nicholls, A. W.; Shockcor, J. P.; Cantor, G. H.; Stevens, G.; Lindon, J. C.; Holmes, E.; Nicholson, J. K. Comparative metabonomics of differential hydrazine toxicity in the rat and mouse. Toxicol. Appl. Pharmacol. 2005, 204, 135-151.
-
(2005)
Toxicol. Appl. Pharmacol
, vol.204
, pp. 135-151
-
-
Bollard, M.E.1
Keun, H.C.2
Beckonert, O.3
Ebbels, T.M.D.4
Antti, H.5
Nicholls, A.W.6
Shockcor, J.P.7
Cantor, G.H.8
Stevens, G.9
Lindon, J.C.10
Holmes, E.11
Nicholson, J.K.12
-
85
-
-
0036685889
-
Batch statistical processing of H-1 NMR-derived urinary spectral data
-
Antti, H.; Bollard, M. E.; Ebbels, T.; Keun, H.; Lindon, J. C.; Nicholson, J. K.; Holmes, E. Batch statistical processing of H-1 NMR-derived urinary spectral data. J. Chemom. 2002, 16, 461-468.
-
(2002)
J. Chemom
, vol.16
, pp. 461-468
-
-
Antti, H.1
Bollard, M.E.2
Ebbels, T.3
Keun, H.4
Lindon, J.C.5
Nicholson, J.K.6
Holmes, E.7
-
86
-
-
0032517828
-
Modelling and diagnostics of batch processes and analogous kinetic experiments
-
Wold, S.; Kettaneh, N.; Friden, H.; Holmberg, A. Modelling and diagnostics of batch processes and analogous kinetic experiments. Chemom. Intell. Lab. Syst. 1998, 44, 331-340.
-
(1998)
Chemom. Intell. Lab. Syst
, vol.44
, pp. 331-340
-
-
Wold, S.1
Kettaneh, N.2
Friden, H.3
Holmberg, A.4
-
87
-
-
3242879742
-
-
Lindon, J. C.; Holmes, E.; Nicholson, J. K. Metabonomics: Systems biology in pharmaceutical research and development. Curr. Opin. Mol. Ther. 2004, 6, 265-272.
-
Lindon, J. C.; Holmes, E.; Nicholson, J. K. Metabonomics: Systems biology in pharmaceutical research and development. Curr. Opin. Mol. Ther. 2004, 6, 265-272.
-
-
-
-
88
-
-
4644269948
-
Combination of 'omics' data to investigate the mechanism(s) of hydrazine-induced hepatotoxicity in rats and to identify potential biomarkers
-
Kleno, T. G.; Kiehr, B.; Baunsgaard, D.; Sidelmann, U. G. Combination of 'omics' data to investigate the mechanism(s) of hydrazine-induced hepatotoxicity in rats and to identify potential biomarkers. Biomarkers 2004, 9, 116-138.
-
(2004)
Biomarkers
, vol.9
, pp. 116-138
-
-
Kleno, T.G.1
Kiehr, B.2
Baunsgaard, D.3
Sidelmann, U.G.4
-
89
-
-
33750093232
-
Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice
-
Rantalainen, M.; Cloarec, O.; Beckonert, O.; Wilson, I. D.; Jackson, D.; Tonge, R.; Rowlinson, R.; Rayner, S.; Nickson, J.; Wilkinson, R. W.; Mills, J. D,; Trygg, J.; Nicholson, J. K.; Holmes, E. Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice. J. Proteome Res. 2006, 5 (10), 2642-2655.
-
(2006)
J. Proteome Res
, vol.5
, Issue.10
, pp. 2642-2655
-
-
Rantalainen, M.1
Cloarec, O.2
Beckonert, O.3
Wilson, I.D.4
Jackson, D.5
Tonge, R.6
Rowlinson, R.7
Rayner, S.8
Nickson, J.9
Wilkinson, R.W.10
Mills, J.D.11
Trygg, J.12
Nicholson, J.K.13
Holmes, E.14
-
90
-
-
33750111733
-
-
Yap, I. K.; Clayton, T. A.; Tang, H.; Everett, J. R.; Hanton, G.; J. Provost, P.; Le Net, J. L.; Charuel, C.; Lindon, J. C.; Nicholson, J. K. An integrated metabonomic approach to describe temporal metabolic disregulation induced in the rat by the model hepatotoxin allyl formate. J. Proteome. Res. 2006, 5, 2675-2684.
-
Yap, I. K.; Clayton, T. A.; Tang, H.; Everett, J. R.; Hanton, G.; J. Provost, P.; Le Net, J. L.; Charuel, C.; Lindon, J. C.; Nicholson, J. K. An integrated metabonomic approach to describe temporal metabolic disregulation induced in the rat by the model hepatotoxin allyl formate. J. Proteome. Res. 2006, 5, 2675-2684.
-
-
-
-
91
-
-
33745823913
-
Systems toxicology: Integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat
-
Craig, A.; Sidaway, J.; Holmes, E.; Orton, T.; Jackson, D.; Rowlinson, R.; Nickson, J.; Tonge, R.; Wilson, I.; Nicholson, J. Systems toxicology: integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat. J. Proteome Res. 2006, 5, 1586-1601.
-
(2006)
J. Proteome Res
, vol.5
, pp. 1586-1601
-
-
Craig, A.1
Sidaway, J.2
Holmes, E.3
Orton, T.4
Jackson, D.5
Rowlinson, R.6
Nickson, J.7
Tonge, R.8
Wilson, I.9
Nicholson, J.10
-
92
-
-
33847367584
-
-
Martin, F. P. J.; Wang, Y.; Yap, I. K. S.; Lundstedt, T.; Lek, P.; Lindon, J. C.; Sprenger, N.; Kochhar, S.; Fay, L. B.; Holmes, E.; Nicholson, J. K. NMR and UPLC-MS based multi-compartment metabonomic investigation of the contribution of different dietary probiotics to host metabolism. J. Proteome Res., to be submitted for publication.
-
Martin, F. P. J.; Wang, Y.; Yap, I. K. S.; Lundstedt, T.; Lek, P.; Lindon, J. C.; Sprenger, N.; Kochhar, S.; Fay, L. B.; Holmes, E.; Nicholson, J. K. NMR and UPLC-MS based multi-compartment metabonomic investigation of the contribution of different dietary probiotics to host metabolism. J. Proteome Res., to be submitted for publication.
-
-
-
-
93
-
-
0001369487
-
Hierarchical multiblock, PLS and PC models for easier model interpretation and as an alternative to variable selection
-
Wold, S.; Kettaneh, N.; Tjessem, K. Hierarchical multiblock, PLS and PC models for easier model interpretation and as an alternative to variable selection. J. Chemom. 1996, 10 (5-6), 463-482.
-
(1996)
J. Chemom
, vol.10
, Issue.5-6
, pp. 463-482
-
-
Wold, S.1
Kettaneh, N.2
Tjessem, K.3
-
94
-
-
0036820793
-
Megavariate analysis of hierarchical QSAR data
-
Eriksson, L.; Johansson, E.; Lindgren. F.; Sjöström, M.; Wold, S. Megavariate analysis of hierarchical QSAR data. J. Comput.-Aided Mol. Des. 2002, 16, 711-726.
-
(2002)
J. Comput.-Aided Mol. Des
, vol.16
, pp. 711-726
-
-
Eriksson, L.1
Johansson, E.2
Lindgren, F.3
Sjöström, M.4
Wold, S.5
-
95
-
-
0037287629
-
Multivariate analysis of G protein-coupled receptors
-
Gunnarsson. I.; Andersson, P. M.; Wikberg, J.; Lundstedt, T. Multivariate analysis of G protein-coupled receptors. J. Chemom. 2003, 17, 82-92.
-
(2003)
J. Chemom
, vol.17
, pp. 82-92
-
-
Gunnarsson, I.1
Andersson, P.M.2
Wikberg, J.3
Lundstedt, T.4
|