-
1
-
-
0034368580
-
Metabonomics: Metabolic processes studied by NMR spectroscopy of biofluids
-
J. Lindon, J. Nicholson, E. Holmes, and J. Everett Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids Concepts Magn Reson 12 5 2000 289 320
-
(2000)
Concepts Magn Reson
, vol.12
, Issue.5
, pp. 289-320
-
-
Lindon, J.1
Nicholson, J.2
Holmes, E.3
Everett, J.4
-
2
-
-
0036007687
-
Metabolomics - The link between genotypes and phenotypes
-
O. Fiehn Metabolomics - the link between genotypes and phenotypes Plant Mol Biol 48 1-2 2002 155 171
-
(2002)
Plant Mol Biol
, vol.48
, Issue.1-2
, pp. 155-171
-
-
Fiehn, O.1
-
4
-
-
33646198860
-
Pharmaco-metabonomic phenotyping and personalized drug treatment
-
T. Clayton, J. Lindon, O. Cloarec, and et al. Pharmaco-metabonomic phenotyping and personalized drug treatment Nature 440 7087 2006 1073 1077
-
(2006)
Nature
, vol.440
, Issue.7087
, pp. 1073-1077
-
-
Clayton, T.1
Lindon, J.2
Cloarec, O.3
-
5
-
-
70149096873
-
Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism
-
T.A. Clayton, D. Baker, J.C. Lindon, J.R. Everett, and J.K. Nicholson Pharmacometabonomic identification of a significant host-microbiome metabolic interaction affecting human drug metabolism Proc Natl Acad Sci U S A 106 34 2009 14728 14733
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, Issue.34
, pp. 14728-14733
-
-
Clayton, T.A.1
Baker, D.2
Lindon, J.C.3
Everett, J.R.4
Nicholson, J.K.5
-
6
-
-
84893779701
-
Pharmacometabonomics and personalized medicine
-
J.R. Everett, R.L. Loo, and F.S. Pullen Pharmacometabonomics and personalized medicine Ann Clin Biochem 50 2013 523 545
-
(2013)
Ann Clin Biochem
, vol.50
, pp. 523-545
-
-
Everett, J.R.1
Loo, R.L.2
Pullen, F.S.3
-
7
-
-
84930686671
-
Pharmacometabonomics in humans: A new tool for personalized medicine
-
J.R. Everett Pharmacometabonomics in humans: a new tool for personalized medicine Pharmacogenomics 16 7 2015 737 754
-
(2015)
Pharmacogenomics
, vol.16
, Issue.7
, pp. 737-754
-
-
Everett, J.R.1
-
8
-
-
39149126712
-
Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts
-
O. Beckonert, H.C. Keun, T.M.D. Ebbels, and et al. Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts Nat Protoc 2 11 2007 2692 2703
-
(2007)
Nat Protoc
, vol.2
, Issue.11
, pp. 2692-2703
-
-
Beckonert, O.1
Keun, H.C.2
Ebbels, T.M.D.3
-
9
-
-
84939874709
-
Molecular phenotyping of a UK population: Defining the human serum metabolome
-
W.B. Dunn, W. Lin, D. Broadhurst, and et al. Molecular phenotyping of a UK population: defining the human serum metabolome Metabolomics 11 2015 9 26
-
(2015)
Metabolomics
, vol.11
, pp. 9-26
-
-
Dunn, W.B.1
Lin, W.2
Broadhurst, D.3
-
10
-
-
33645663178
-
Scaling and normalization effects in NMR spectroscopic metabonomic data sets
-
A. Craig, O. Cloarec, E. Holmes, J.K. Nicholson, and J.C. Lindon Scaling and normalization effects in NMR spectroscopic metabonomic data sets Anal Chem 78 7 2006 2262 2267
-
(2006)
Anal Chem
, vol.78
, Issue.7
, pp. 2262-2267
-
-
Craig, A.1
Cloarec, O.2
Holmes, E.3
Nicholson, J.K.4
Lindon, J.C.5
-
11
-
-
34249335649
-
OPLS discriminant analysis: Combining the strengths of PLS-DA and SIMCA classification
-
M. Bylesjo, M. Rantalainen, O. Cloarec, J.K. Nicholson, E. Holmes, and J. Trygg OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification J Chemometr 20 8-10 2006 341 351
-
(2006)
J Chemometr
, vol.20
, Issue.8-10
, pp. 341-351
-
-
Bylesjo, M.1
Rantalainen, M.2
Cloarec, O.3
Nicholson, J.K.4
Holmes, E.5
Trygg, J.6
-
12
-
-
84907886121
-
Precision high-throughput proton NMR spectroscopy of human urine, serum, and plasma for large-scale metabolic phenotyping
-
A.C. Dona, B. Jimenez, H. Schaefer, and et al. Precision high-throughput proton NMR spectroscopy of human urine, serum, and plasma for large-scale metabolic phenotyping Anal Chem 86 19 2014 9887 9894
-
(2014)
Anal Chem
, vol.86
, Issue.19
, pp. 9887-9894
-
-
Dona, A.C.1
Jimenez, B.2
Schaefer, H.3
-
13
-
-
84871285922
-
Subset Optimization by Reference Matching (STORM): An optimized statistical approach for recovery of metabolic biomarker structural information from H-1 NMR spectra of biofluids
-
J.M. Posma, I. Garcia-Perez, M. De Iorio, and et al. Subset Optimization by Reference Matching (STORM): an optimized statistical approach for recovery of metabolic biomarker structural information from H-1 NMR spectra of biofluids Anal Chem 84 24 2012 10694 10701
-
(2012)
Anal Chem
, vol.84
, Issue.24
, pp. 10694-10701
-
-
Posma, J.M.1
Garcia-Perez, I.2
De Iorio, M.3
-
15
-
-
84884413414
-
NMR-based metabolomics in human disease diagnosis: Applications, limitations, and recommendations
-
A.-H.M. Emwas, R.M. Salek, J.L. Griffin, and J. Merzaban NMR-based metabolomics in human disease diagnosis: applications, limitations, and recommendations Metabolomics 9 5 2013 1048 1072
-
(2013)
Metabolomics
, vol.9
, Issue.5
, pp. 1048-1072
-
-
Emwas, A.-H.M.1
Salek, R.M.2
Griffin, J.L.3
Merzaban, J.4
-
16
-
-
84931562865
-
Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: A review
-
A.-H. Emwas, C. Luchinat, P. Turano, and et al. Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review Metabolomics 11 4 2015 872 894
-
(2015)
Metabolomics
, vol.11
, Issue.4
, pp. 872-894
-
-
Emwas, A.-H.1
Luchinat, C.2
Turano, P.3
-
17
-
-
33745700684
-
Impact of analytical bias in metabonomic studies of human blood serum and plasma
-
O. Teahan, S. Gamble, E. Holmes, and et al. Impact of analytical bias in metabonomic studies of human blood serum and plasma Anal Chem 78 13 2006 4307 4318
-
(2006)
Anal Chem
, vol.78
, Issue.13
, pp. 4307-4318
-
-
Teahan, O.1
Gamble, S.2
Holmes, E.3
-
18
-
-
84893302825
-
Human plasma stability during handling and storage: Impact on NMR metabolomics
-
J. Pinto, M.R.M. Domingues, E. Galhano, and et al. Human plasma stability during handling and storage: impact on NMR metabolomics Analyst 139 5 2014 1168 1177
-
(2014)
Analyst
, vol.139
, Issue.5
, pp. 1168-1177
-
-
Pinto, J.1
Domingues, M.R.M.2
Galhano, E.3
-
19
-
-
80052813824
-
Descriptive review of current NMR-based metabolomic data analysis packages
-
J.L. Izquierdo-Garcia, P. Villa, A. Kyriazis, and et al. Descriptive review of current NMR-based metabolomic data analysis packages Prog Nucl Magn Reson Spectrosc 59 3 2011 263 270
-
(2011)
Prog Nucl Magn Reson Spectrosc
, vol.59
, Issue.3
, pp. 263-270
-
-
Izquierdo-Garcia, J.L.1
Villa, P.2
Kyriazis, A.3
-
20
-
-
77952205557
-
Global metabolic profiling procedures for urine using UPLC-MS
-
E.J. Want, I.D. Wilson, H. Gika, and et al. Global metabolic profiling procedures for urine using UPLC-MS Nat Protoc 5 6 2010 1005 1018
-
(2010)
Nat Protoc
, vol.5
, Issue.6
, pp. 1005-1018
-
-
Want, E.J.1
Wilson, I.D.2
Gika, H.3
-
21
-
-
77749324192
-
Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification
-
J.M. Fonville, A.D. Maher, M. Coen, E. Holmes, J.C. Lindon, and J.K. Nicholson Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification Anal Chem 82 5 2010 1811 1821
-
(2010)
Anal Chem
, vol.82
, Issue.5
, pp. 1811-1821
-
-
Fonville, J.M.1
Maher, A.D.2
Coen, M.3
Holmes, E.4
Lindon, J.C.5
Nicholson, J.K.6
-
22
-
-
73349091531
-
Two-dimensional J-resolved NMR Spectroscopy: Review of a key methodology in the metabolomics toolbox
-
C. Ludwig, and M.R. Viant Two-dimensional J-resolved NMR Spectroscopy: review of a key methodology in the metabolomics toolbox Phytochem Anal 21 1 2010
-
(2010)
Phytochem Anal
, vol.21
, Issue.1
-
-
Ludwig, C.1
Viant, M.R.2
-
23
-
-
38949178155
-
Metabolite identification via the Madison metabolomics consortium database
-
Q. Cui, I.A. Lewis, A.D. Hegeman, and et al. Metabolite identification via the Madison metabolomics consortium database Nat Biotechnol 26 2 2008 162 164
-
(2008)
Nat Biotechnol
, vol.26
, Issue.2
, pp. 162-164
-
-
Cui, Q.1
Lewis, I.A.2
Hegeman, A.D.3
-
24
-
-
80053960733
-
MetaboHunter: An automatic approach for identification of metabolites from H-1-NMR spectra of complex mixtures
-
D. Tulpan, S. Leger, L. Belliveau, A. Culf, and M. Cuperlovic-Culf MetaboHunter: an automatic approach for identification of metabolites from H-1-NMR spectra of complex mixtures BMC Bioinforma 12 2011
-
(2011)
BMC Bioinforma
, vol.12
-
-
Tulpan, D.1
Leger, S.2
Belliveau, L.3
Culf, A.4
Cuperlovic-Culf, M.5
-
25
-
-
84884414873
-
Structural elucidation of low abundant metabolites in complex sample matrices
-
J.J.J. van der Hooft, R.C.H. de Vos, L. Ridder, J. Vervoort, and R.J. Bino Structural elucidation of low abundant metabolites in complex sample matrices Metabolomics 9 5 2013 1009 1018
-
(2013)
Metabolomics
, vol.9
, Issue.5
, pp. 1009-1018
-
-
Van Der Hooft, J.J.J.1
De Vos, R.C.H.2
Ridder, L.3
Vervoort, J.4
Bino, R.J.5
-
26
-
-
84856593994
-
A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR
-
J.J.J. van der Hooft, V. Mihaleva, R.C.H. de Vos, R.J. Bino, and J. Vervoort A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR Magn Reson Chem 49 2011 S55 S60
-
(2011)
Magn Reson Chem
, vol.49
, pp. S55-S60
-
-
Van Der Hooft, J.J.J.1
Mihaleva, V.2
De Vos, R.C.H.3
Bino, R.J.4
Vervoort, J.5
-
27
-
-
84878313362
-
An efficient spectra processing method for metabolite identification from H-1-NMR metabolomics data
-
D. Jacob, C. Deborde, and A. Moing An efficient spectra processing method for metabolite identification from H-1-NMR metabolomics data Anal Bioanal Chem 405 15 2013 5049 5061
-
(2013)
Anal Bioanal Chem
, vol.405
, Issue.15
, pp. 5049-5061
-
-
Jacob, D.1
Deborde, C.2
Moing, A.3
-
28
-
-
80051682403
-
Advances in metabolite identification
-
D.S. Wishart Advances in metabolite identification Bioanalysis 3 15 2011 1769 1782
-
(2011)
Bioanalysis
, vol.3
, Issue.15
, pp. 1769-1782
-
-
Wishart, D.S.1
-
29
-
-
84874345577
-
Mass appeal: Metabolite identification in mass spectrometry-focused untargeted metabolomics
-
W.B. Dunn, A. Erban, R.J.M. Weber, and et al. Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics Metabolomics 9 1 2013 S44 S66
-
(2013)
Metabolomics
, vol.9
, Issue.1
, pp. S44-S66
-
-
Dunn, W.B.1
Erban, A.2
Weber, R.J.M.3
-
30
-
-
84902144851
-
A rough guide to metabolite identification using high resolution liquid chromatography mass spectrometry in metabolomic profiling in metazoans
-
D.G. Watson A rough guide to metabolite identification using high resolution liquid chromatography mass spectrometry in metabolomic profiling in metazoans Comput Struct Biotechnol J 4 2013 e201301005
-
(2013)
Comput Struct Biotechnol J
, vol.4
-
-
Watson, D.G.1
-
31
-
-
84875787706
-
Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics
-
J.E. Peironcely, M. Rojas-Cherto, A. Tas, and et al. Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics Anal Chem 85 7 2013 3576 3583
-
(2013)
Anal Chem
, vol.85
, Issue.7
, pp. 3576-3583
-
-
Peironcely, J.E.1
Rojas-Cherto, M.2
Tas, A.3
-
32
-
-
78650755755
-
Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics
-
T.M. Kertesz, D.W. Hill, D.R. Albaugh, L.H. Hall, L.M. Hall, and D.F. Grant Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics Bioanalysis 1 9 2009
-
(2009)
Bioanalysis
, vol.1
, Issue.9
-
-
Kertesz, T.M.1
Hill, D.W.2
Albaugh, D.R.3
Hall, L.H.4
Hall, L.M.5
Grant, D.F.6
-
33
-
-
79960495785
-
Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies
-
G. Theodoridis, H.G. Gika, and I.D. Wilson Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies Mass Spectrom Rev 30 5 2011 884 906
-
(2011)
Mass Spectrom Rev
, vol.30
, Issue.5
, pp. 884-906
-
-
Theodoridis, G.1
Gika, H.G.2
Wilson, I.D.3
-
34
-
-
78650737804
-
Advances in structure elucidation of small molecules using mass spectrometry
-
T. Kind, and O. Fiehn Advances in structure elucidation of small molecules using mass spectrometry Bioanal Rev 2 1-4 2010 23 60
-
(2010)
Bioanal Rev
, vol.2
, Issue.1-4
, pp. 23-60
-
-
Kind, T.1
Fiehn, O.2
-
39
-
-
51949100510
-
Robust algorithms for automated chemical shift calibration of 1D H-1 NMR spectra of blood serum
-
J.T.M. Pearce, T.J. Athersuch, T.M.D. Ebbels, J.C. Lindon, J.K. Nicholson, and H.C. Keun Robust algorithms for automated chemical shift calibration of 1D H-1 NMR spectra of blood serum Anal Chem 80 18 2008 7158 7162
-
(2008)
Anal Chem
, vol.80
, Issue.18
, pp. 7158-7162
-
-
Pearce, J.T.M.1
Athersuch, T.J.2
Ebbels, T.M.D.3
Lindon, J.C.4
Nicholson, J.K.5
Keun, H.C.6
-
40
-
-
0028484479
-
Internal temperature calibration for H-1-NMR spectroscopy studies of blood-plasma and other biofluids
-
R.D. Farrant, J.C. Lindon, and J.K. Nicholson Internal temperature calibration for H-1-NMR spectroscopy studies of blood-plasma and other biofluids NMR Biomed 7 5 1994 243 247
-
(1994)
NMR Biomed
, vol.7
, Issue.5
, pp. 243-247
-
-
Farrant, R.D.1
Lindon, J.C.2
Nicholson, J.K.3
-
41
-
-
38749110011
-
Structure-based profiling of metabolites and isotopomers by NMR
-
T.W.M. Fan, and A.N. Lane Structure-based profiling of metabolites and isotopomers by NMR Prog Nucl Magn Reson Spectrosc 52 2-3 2008 69 117
-
(2008)
Prog Nucl Magn Reson Spectrosc
, vol.52
, Issue.2-3
, pp. 69-117
-
-
Fan, T.W.M.1
Lane, A.N.2
-
42
-
-
0029166672
-
New parameters for predicting H-1-NMR chemical-shifts of protons attached to carbon-atoms
-
R.B. Schaller, C. Arnold, and E. Pretsch New parameters for predicting H-1-NMR chemical-shifts of protons attached to carbon-atoms Anal Chim Acta 312 1 1995 95 105
-
(1995)
Anal Chim Acta
, vol.312
, Issue.1
, pp. 95-105
-
-
Schaller, R.B.1
Arnold, C.2
Pretsch, E.3
-
44
-
-
0342546253
-
A short set of C-13 NMR correlation tables
-
D.W. Brown A short set of C-13 NMR correlation tables J Chem Educ 62 3 1985 209 212
-
(1985)
J Chem Educ
, vol.62
, Issue.3
, pp. 209-212
-
-
Brown, D.W.1
-
45
-
-
84876148784
-
HMDB 3.0 - The human metabolome database in 2013
-
D.S. Wishart, T. Jewison, A.C. Guo, and et al. HMDB 3.0 - the human metabolome database in 2013 Nucleic Acids Res 41 D1 2013 D801 D807
-
(2013)
Nucleic Acids Res
, vol.41
, Issue.D1
, pp. D801-D807
-
-
Wishart, D.S.1
Jewison, T.2
Guo, A.C.3
-
48
-
-
84986734495
-
Expectation ranges of C-13 NMR Chemical-Shifts
-
W. Bremser Expectation ranges Of C-13 NMR Chemical-Shifts Magn Reson Chem 23 4 1985 271 275
-
(1985)
Magn Reson Chem
, vol.23
, Issue.4
, pp. 271-275
-
-
Bremser, W.1
-
53
-
-
0021265851
-
Spin-Echo H-1-NMR spectroscopy - A new method for studying penicillin metabolism
-
J. Everett, K. Jennings, G. Woodnutt, and M. Buckingham Spin-Echo H-1-NMR spectroscopy - a new method for studying penicillin metabolism J Chem Soc Chem Commun 14 1984 894 895
-
(1984)
J Chem Soc Chem Commun
, vol.14
, pp. 894-895
-
-
Everett, J.1
Jennings, K.2
Woodnutt, G.3
Buckingham, M.4
-
54
-
-
0028182451
-
High-resolution H-1-NMR spectroscopic studies of the metabolism and excretion of ampicillin in rats and amoxicillin in rats and man
-
S. Connor, J. Everett, K. Jennings, J. Nicholson, and G. Woodnutt High-resolution H-1-NMR spectroscopic studies of the metabolism and excretion of ampicillin in rats and amoxicillin in rats and man J Pharm Pharmacol 46 2 1994 128 134
-
(1994)
J Pharm Pharmacol
, vol.46
, Issue.2
, pp. 128-134
-
-
Connor, S.1
Everett, J.2
Jennings, K.3
Nicholson, J.4
Woodnutt, G.5
-
55
-
-
33845559707
-
Homonuclear and heteronuclear coupling in 5′-Amp as probed by 2-dimensional proton nuclear magnetic-resonance spectroscopy
-
J. Everett, D. Hughes, A. Bain, and R. Bell Homonuclear and heteronuclear coupling in 5′-Amp as probed by 2-dimensional proton nuclear magnetic-resonance spectroscopy J Am Chem Soc 101 22 1979 6776 6777
-
(1979)
J Am Chem Soc
, vol.101
, Issue.22
, pp. 6776-6777
-
-
Everett, J.1
Hughes, D.2
Bain, A.3
Bell, R.4
-
56
-
-
36749037744
-
Signal suppression/enhancement in HPLC-ESI-MS/MS from concomitant medications
-
R. Leverence, M.J. Avery, O. Kavetskaia, H. Bi, C.E.C.A. Hop, and A.I. Gusev Signal suppression/enhancement in HPLC-ESI-MS/MS from concomitant medications Biomed Chromatogr 21 11 2007 1143 1150
-
(2007)
Biomed Chromatogr
, vol.21
, Issue.11
, pp. 1143-1150
-
-
Leverence, R.1
Avery, M.J.2
Kavetskaia, O.3
Bi, H.4
Hop, C.E.C.A.5
Gusev, A.I.6
-
57
-
-
18744396052
-
Analytical reproducibility in H-1 NMR-based metabonomic urinalysis
-
H.C. Keun, T.M.D. Ebbels, H. Antti, and et al. Analytical reproducibility in H-1 NMR-based metabonomic urinalysis Chem Res Toxicol 15 11 2002 1380 1386
-
(2002)
Chem Res Toxicol
, vol.15
, Issue.11
, pp. 1380-1386
-
-
Keun, H.C.1
Ebbels, T.M.D.2
Antti, H.3
-
58
-
-
41849083955
-
1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: Validation study
-
1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: validation study Int J Epidemiol 37 Suppl. 1 2008 i31 i40
-
(2008)
Int J Epidemiol
, vol.37
, pp. i31-i40
-
-
Barton, R.H.1
Nicholson, J.K.2
Elliott, P.3
Holmes, E.4
-
59
-
-
0032473005
-
High resolution (1)H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples
-
A. Tomlins, P. Foxall, M. Lynch, J. Parkinson, J. Everett, and J. Nicholson High resolution (1)H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples Biochim Biophys Acta Gen Subj 1379 3 1998 367 380
-
(1998)
Biochim Biophys Acta Gen Subj
, vol.1379
, Issue.3
, pp. 367-380
-
-
Tomlins, A.1
Foxall, P.2
Lynch, M.3
Parkinson, J.4
Everett, J.5
Nicholson, J.6
-
60
-
-
79958766718
-
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
-
P. Mercier, M.J. Lewis, D. Chang, D. Baker, and D.S. Wishart Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra J Biomol NMR 49 3-4 2011 307 323
-
(2011)
J Biomol NMR
, vol.49
, Issue.3-4
, pp. 307-323
-
-
Mercier, P.1
Lewis, M.J.2
Chang, D.3
Baker, D.4
Wishart, D.S.5
-
61
-
-
84934833136
-
The phenotype of a knockout mouse identifies flavin-containing monooxygenase 5 (FMO5) as a regulator of metabolic ageing
-
S.G.G. Malagon, A.N. Melidoni, D. Hernandez, and et al. The phenotype of a knockout mouse identifies flavin-containing monooxygenase 5 (FMO5) as a regulator of metabolic ageing Biochem Pharmacol 96 3 2015 267 277
-
(2015)
Biochem Pharmacol
, vol.96
, Issue.3
, pp. 267-277
-
-
Malagon, S.G.G.1
Melidoni, A.N.2
Hernandez, D.3
-
62
-
-
0141757204
-
Improved methods for the acquisition and interpretation of NMR metabolomic data
-
M.R. Viant Improved methods for the acquisition and interpretation of NMR metabolomic data Biochem Biophys Res Commun 310 3 2003 943 948
-
(2003)
Biochem Biophys Res Commun
, vol.310
, Issue.3
, pp. 943-948
-
-
Viant, M.R.1
-
64
-
-
84902821405
-
Evaluation of fast 2D NMR for metabolomics
-
A. Le Guennec, P. Giraudeau, and S. Caldarelli Evaluation of fast 2D NMR for metabolomics Anal Chem 86 12 2014 5946 5954
-
(2014)
Anal Chem
, vol.86
, Issue.12
, pp. 5946-5954
-
-
Le Guennec, A.1
Giraudeau, P.2
Caldarelli, S.3
-
65
-
-
33845378943
-
Assignment of complex 'H NMR spectra via wo-dimensional homonuclear Hartmann-Hahn spectroscopy
-
D.G. Davis, and A.D. Bax Assignment of complex 'H NMR spectra via wo-dimensional homonuclear Hartmann-Hahn spectroscopy J Am Chem Soc 107 1985 2820 2821
-
(1985)
J Am Chem Soc
, vol.107
, pp. 2820-2821
-
-
Davis, D.G.1
Bax, A.D.2
-
66
-
-
78650725285
-
Computational strategies for metabolite identification in metabolomics
-
D.S. Wishart Computational strategies for metabolite identification in metabolomics Bioanalysis 1 9 2009
-
(2009)
Bioanalysis
, vol.1
, Issue.9
-
-
Wishart, D.S.1
-
67
-
-
0035796127
-
Pattern recognition methods and applications in biomedical magnetic resonance
-
J.C. Lindon, E. Holmes, and J.K. Nicholson Pattern recognition methods and applications in biomedical magnetic resonance Prog Nucl Magn Reson Spectrosc 39 1 2001 1 40
-
(2001)
Prog Nucl Magn Reson Spectrosc
, vol.39
, Issue.1
, pp. 1-40
-
-
Lindon, J.C.1
Holmes, E.2
Nicholson, J.K.3
-
68
-
-
0001369487
-
Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection
-
S. Wold, N. Kettaneh, and K. Tjessem Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection J Chemometr 10 5-6 1996 463 482
-
(1996)
J Chemometr
, vol.10
, Issue.5-6
, pp. 463-482
-
-
Wold, S.1
Kettaneh, N.2
Tjessem, K.3
-
70
-
-
0036083139
-
Orthogonal projections to latent structures (O-PLS)
-
J. Trygg, and S. Wold Orthogonal projections to latent structures (O-PLS) J Chemometr 16 3 2002 119 128
-
(2002)
J Chemometr
, vol.16
, Issue.3
, pp. 119-128
-
-
Trygg, J.1
Wold, S.2
-
71
-
-
0028015622
-
1H nuclear magnetic resonance spectra of human urine from normal and pathological states
-
1H nuclear magnetic resonance spectra of human urine from normal and pathological states Anal Biochem 220 2 1994 284 296
-
(1994)
Anal Biochem
, vol.220
, Issue.2
, pp. 284-296
-
-
Holmes, E.1
Foxall, P.J.2
Nicholson, J.K.3
-
72
-
-
0034130232
-
Chemometric models for toxicity classification based on NMR spectra of biofluids
-
E. Holmes Chemometric models for toxicity classification based on NMR spectra of biofluids Chem Res Toxicol 13 2000 471 478
-
(2000)
Chem Res Toxicol
, vol.13
, pp. 471-478
-
-
Holmes, E.1
-
75
-
-
78650666244
-
The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping
-
J. Fonville, S. Richards, R. Barton, and et al. The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping J Chemother 24 11-12 2010 636 649
-
(2010)
J Chemother
, vol.24
, Issue.11-12
, pp. 636-649
-
-
Fonville, J.1
Richards, S.2
Barton, R.3
-
76
-
-
84901811755
-
1H NMR spectral data to reduce interference and enhance robust biomarkers selection
-
1H NMR spectral data to reduce interference and enhance robust biomarkers selection Anal Chem 86 11 2014 5308 5315
-
(2014)
Anal Chem
, vol.86
, Issue.11
, pp. 5308-5315
-
-
Zou, X.1
Holmes, E.2
Nicholson, J.K.3
Loo, R.L.4
-
78
-
-
33750724182
-
Reducing over-optimism in variable selection by cross-model validation
-
E. Anderssen, K. Dyrstad, F. Westad, and H. Martens Reducing over-optimism in variable selection by cross-model validation Chemom Intell Lab Syst 84 1-2 2006 69 74
-
(2006)
Chemom Intell Lab Syst
, vol.84
, Issue.1-2
, pp. 69-74
-
-
Anderssen, E.1
Dyrstad, K.2
Westad, F.3
Martens, H.4
-
79
-
-
33746909835
-
Assessing the performance of statistical validation tools for megavariate metabolomics data
-
C. Rubingh, S. Bijlsma, E.P.A. Derks, and et al. Assessing the performance of statistical validation tools for megavariate metabolomics data Metabolomics 2 2 2006 53 61
-
(2006)
Metabolomics
, vol.2
, Issue.2
, pp. 53-61
-
-
Rubingh, C.1
Bijlsma, S.2
Derks, E.P.A.3
-
80
-
-
84860386341
-
Double-check: Validation of diagnostic statistics for PLS-DA models in metabolomics studies
-
E. Szymańska, E. Saccenti, A.K. Smilde, and J.A. Westerhuis Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies Metabolomics 8 Suppl. 1 2012 3 16
-
(2012)
Metabolomics
, vol.8
, pp. 3-16
-
-
Szymańska, E.1
Saccenti, E.2
Smilde, A.K.3
Westerhuis, J.A.4
-
81
-
-
28444452344
-
Permutation Tests for Classification: Towards Statistical Significance in Image-Based Studies
-
C. Taylor, J.A. Noble, Springer Berlin Heidelberg
-
P. Golland, and B. Fischl Permutation Tests for Classification: Towards Statistical Significance in Image-Based Studies C. Taylor, J.A. Noble, Information Processing in Medical Imaging 2003 Springer Berlin Heidelberg 330 341
-
(2003)
Information Processing in Medical Imaging
, pp. 330-341
-
-
Golland, P.1
Fischl, B.2
-
82
-
-
33745563365
-
Generalized 2-dimensional correlation method applicable to infrared, Raman, and other types of spectroscopy
-
I. Noda Generalized 2-dimensional correlation method applicable to infrared, Raman, and other types of spectroscopy Appl Spectrosc 47 9 1993 1329 1336
-
(1993)
Appl Spectrosc
, vol.47
, Issue.9
, pp. 1329-1336
-
-
Noda, I.1
-
83
-
-
0025131809
-
A novel series of milbemycin antibiotics from streptomyces strain-E225.2. Isolation, characterization, structure elucidation and solution conformations
-
G. Baker, R. Dorgan, J. Everett, J. Hood, and M. Poulton A novel series of milbemycin antibiotics from streptomyces strain-E225.2. Isolation, characterization, structure elucidation and solution conformations J Antibiot 43 9 1990 1069 1076
-
(1990)
J Antibiot
, vol.43
, Issue.9
, pp. 1069-1076
-
-
Baker, G.1
Dorgan, R.2
Everett, J.3
Hood, J.4
Poulton, M.5
-
84
-
-
37049071031
-
Isolation, structure elucidation, and synthesis of novel penicillin degradation products - Thietan-2-Ones
-
K. Ashline, R. Attrill, E. Chess, and et al. Isolation, structure elucidation, and synthesis of novel penicillin degradation products - Thietan-2-Ones J Chem Soc Perkin Trans 2 9 1990 1559 1566
-
(1990)
J Chem Soc Perkin Trans
, vol.2
, Issue.9
, pp. 1559-1566
-
-
Ashline, K.1
Attrill, R.2
Chess, E.3
-
86
-
-
84855888813
-
Birmingham Metabolite Library: A publicly accessible database of 1-D H-1 and 2-D H-1 J-resolved NMR spectra of authentic metabolite standards (BML-NMR)
-
C. Ludwig, J.M. Easton, A. Lodi, and et al. Birmingham Metabolite Library: a publicly accessible database of 1-D H-1 and 2-D H-1 J-resolved NMR spectra of authentic metabolite standards (BML-NMR) Metabolomics 8 1 2012 8 18
-
(2012)
Metabolomics
, vol.8
, Issue.1
, pp. 8-18
-
-
Ludwig, C.1
Easton, J.M.2
Lodi, A.3
-
88
-
-
34748888866
-
Proposed minimum reporting standards for chemical analysis
-
L.W. Sumner, A. Amberg, D. Barrett, and et al. Proposed minimum reporting standards for chemical analysis Metabolomics 3 3 2007 211 221
-
(2007)
Metabolomics
, vol.3
, Issue.3
, pp. 211-221
-
-
Sumner, L.W.1
Amberg, A.2
Barrett, D.3
-
89
-
-
34748838949
-
The metabolomics standards initiative (MSI)
-
O. Fiehn, D. Robertson, J. Griffin, and et al. The metabolomics standards initiative (MSI) Metabolomics 3 3 2007 175 178
-
(2007)
Metabolomics
, vol.3
, Issue.3
, pp. 175-178
-
-
Fiehn, O.1
Robertson, D.2
Griffin, J.3
-
90
-
-
85006210853
-
The role of reporting standards for metabolite annotation and identification in metabolomic studies
-
R.M. Salek, C. Steinbeck, M.R. Viant, R. Goodacre, and W.B. Dunn The role of reporting standards for metabolite annotation and identification in metabolomic studies GigaScience 2 1 2013 13
-
(2013)
GigaScience
, vol.2
, Issue.1
, pp. 13
-
-
Salek, R.M.1
Steinbeck, C.2
Viant, M.R.3
Goodacre, R.4
Dunn, W.B.5
-
91
-
-
84907095098
-
Metabolite identification: Are you sure? and how do your peers gauge your confidence?
-
D.J. Creek, W.B. Dunn, O. Fiehn, and et al. Metabolite identification: are you sure? And how do your peers gauge your confidence? Metabolomics 10 3 2014 350 353
-
(2014)
Metabolomics
, vol.10
, Issue.3
, pp. 350-353
-
-
Creek, D.J.1
Dunn, W.B.2
Fiehn, O.3
-
92
-
-
84922080318
-
Proposed quantitative and alphanumeric metabolite identification metrics
-
L. Sumner, Z. Lei, B. Nikolau, K. Saito, U. Roessner, and R. Trengove Proposed quantitative and alphanumeric metabolite identification metrics Metabolomics 10 6 2014 1047 1049
-
(2014)
Metabolomics
, vol.10
, Issue.6
, pp. 1047-1049
-
-
Sumner, L.1
Lei, Z.2
Nikolau, B.3
Saito, K.4
Roessner, U.5
Trengove, R.6
-
93
-
-
84911371686
-
MetAssign: Probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach
-
R. Daly, S. Rogers, J. Wandy, A. Jankevics, K.E.V. Burgess, and R. Breitling MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach Bioinformatics 30 19 2014 2764 2771
-
(2014)
Bioinformatics
, vol.30
, Issue.19
, pp. 2764-2771
-
-
Daly, R.1
Rogers, S.2
Wandy, J.3
Jankevics, A.4
Burgess, K.E.V.5
Breitling, R.6
-
94
-
-
84930751758
-
A new paradigm for known metabolite identification in metabonomics/metabolomics: Metabolite identification efficiency
-
J.R. Everett A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency Comput Struct Biotechnol J 13 2015 131 144
-
(2015)
Comput Struct Biotechnol J
, vol.13
, pp. 131-144
-
-
Everett, J.R.1
-
95
-
-
84879639805
-
Salting-out assisted liquid-liquid extraction for bioanalysis
-
Y.Q. Tang, and N. Weng Salting-out assisted liquid-liquid extraction for bioanalysis Bioanalysis 5 12 2013 1583 1598
-
(2013)
Bioanalysis
, vol.5
, Issue.12
, pp. 1583-1598
-
-
Tang, Y.Q.1
Weng, N.2
-
96
-
-
84902539538
-
Extraction for metabolomics: Access to the metabolome
-
M.Y. Mushtaq, Y.H. Choi, R. Verpoorte, and E.G. Wilson Extraction for metabolomics: access to the metabolome Phytochem Anal 25 4 2014 291 306
-
(2014)
Phytochem Anal
, vol.25
, Issue.4
, pp. 291-306
-
-
Mushtaq, M.Y.1
Choi, Y.H.2
Verpoorte, R.3
Wilson, E.G.4
-
97
-
-
84945450844
-
Fast experiments for structure elucidation of small molecules: Hadamard NMR with multiple receivers
-
P. Gierth, A. Codina, F. Schumann, H. Kovacs, and E. Kupče Fast experiments for structure elucidation of small molecules: Hadamard NMR with multiple receivers Magn Reson Chem 2015
-
(2015)
Magn Reson Chem
-
-
Gierth, P.1
Codina, A.2
Schumann, F.3
Kovacs, H.4
Kupče, E.5
-
98
-
-
84878642524
-
Statistical spectroscopic tools for biomarker discovery and systems medicine
-
S.L. Robinette, J.C. Lindon, and J.K. Nicholson Statistical spectroscopic tools for biomarker discovery and systems medicine Anal Chem 85 11 2013 5297 5303
-
(2013)
Anal Chem
, vol.85
, Issue.11
, pp. 5297-5303
-
-
Robinette, S.L.1
Lindon, J.C.2
Nicholson, J.K.3
|