Research graph
References from A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments. Local targets link to admitted publications; unresolved targets remain external evidence.
Metabonomics: metabolic processes studied by NMR spectroscopy of biofluids
10.1002/1099-0534(2000)12:5<289::aid-cmr3>3.0.co;2-w · 2000 · External reference
10.1023/a:1013713905833
10.1023/a:1013713905833 · External reference
10.1016/b978-044452841-4/50020-5
10.1016/b978-044452841-4/50020-5 · External reference
10.1038/nature04648
10.1038/nature04648 · External reference
10.1073/pnas.0904489106
10.1073/pnas.0904489106 · External reference
Pharmacometabonomics and personalized medicine
10.1177/0004563213497929 · 2013 · External reference
Pharmacometabonomics in humans: a new tool for personalized medicine
10.2217/pgs.15.20 · 2015 · External reference
10.1038/nprot.2007.376
10.1038/nprot.2007.376 · External reference
10.1007/s11306-014-0707-1
10.1007/s11306-014-0707-1 · External reference
Scaling and normalization effects in NMR spectroscopic metabonomic data sets
10.1021/ac0519312 · 2006 · External reference
OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification
10.1002/cem.1006 · 2006 · External reference
10.1021/ac5025039
10.1021/ac5025039 · External reference
Subset Optimization by Reference Matching (STORM): an optimized statistical approach for recovery of metabolic biomarker structural information from H-1 NMR spectra of biofluids
10.1021/ac302360v · 2012 · External reference
The human urine metabolome
10.1371/journal.pone.0073076 · 2013 · External reference
10.1007/s11306-013-0524-y
10.1007/s11306-013-0524-y · External reference
10.1007/s11306-014-0746-7
10.1007/s11306-014-0746-7 · External reference
Impact of analytical bias in metabonomic studies of human blood serum and plasma
10.1021/ac051972y · 2006 · External reference
Human plasma stability during handling and storage: impact on NMR metabolomics
10.1039/c3an02188b · 2014 · External reference
Descriptive review of current NMR-based metabolomic data analysis packages
10.1016/j.pnmrs.2011.02.001 · 2011 · External reference
Global metabolic profiling procedures for urine using UPLC–MS
10.1038/nprot.2010.50 · 2010 · External reference
Evaluation of full-resolution J-resolved 1H NMR projections of biofluids for metabonomics information retrieval and biomarker identification
10.1021/ac902443k · 2010 · External reference
Two-dimensional J-resolved NMR Spectroscopy: review of a key methodology in the metabolomics toolbox
10.1002/pca.1186 · 2010 · External reference
Metabolite identification via the Madison metabolomics consortium database
10.1038/nbt0208-162 · 2008 · External reference
MetaboHunter: an automatic approach for identification of metabolites from H-1-NMR spectra of complex mixtures
10.1186/1471-2105-12-400 · 2011 · External reference
Structural elucidation of low abundant metabolites in complex sample matrices
10.1007/s11306-013-0519-8 · 2013 · External reference
A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC–MS-SPE-NMR
2011 · External reference
An efficient spectra processing method for metabolite identification from H-1-NMR metabolomics data
10.1007/s00216-013-6852-y · 2013 · External reference
10.4155/bio.11.155
10.4155/bio.11.155 · External reference
10.1007/s11306-012-0434-4
10.1007/s11306-012-0434-4 · External reference
10.5936/csbj.201301005 · Admitted local publication
Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics
10.1021/ac303218u · 2013 · External reference
Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics
10.4155/bio.09.145 · 2009 · External reference
Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies
10.1002/mas.20306 · 2011 · External reference
Advances in structure elucidation of small molecules using mass spectrometry
10.1007/s12566-010-0015-9 · 2010 · External reference
Unresolved reference
2009 · External reference
Unresolved reference
2008 · External reference
Unresolved reference
2010 · External reference
Unresolved reference
2013 · External reference
Robust algorithms for automated chemical shift calibration of 1D H-1 NMR spectra of blood serum
10.1021/ac8011494 · 2008 · External reference
Internal temperature calibration for H-1-NMR spectroscopy studies of blood-plasma and other biofluids
10.1002/nbm.1940070508 · 1994 · External reference
10.1016/j.pnmrs.2007.03.002
10.1016/j.pnmrs.2007.03.002 · External reference
New parameters for predicting H-1-NMR chemical-shifts of protons attached to carbon-atoms
10.1016/0003-2670(95)00106-a · 1995 · External reference
Unresolved reference
External reference
A short set of C-13 NMR correlation tables
10.1021/ed062p209 · 1985 · External reference
10.1093/nar/gks1065
10.1093/nar/gks1065 · External reference
Unresolved reference
External reference
Unresolved reference
External reference
Expectation ranges Of C-13 NMR Chemical-Shifts
10.1002/mrc.1260230413 · 1985 · External reference
Unresolved reference
1979 · External reference
Unresolved reference
1987 · External reference
Unresolved reference
1988 · External reference
Unresolved reference
1988 · External reference
Spin-Echo H-1-NMR spectroscopy — a new method for studying penicillin metabolism
10.1039/c39840000894 · 1984 · External reference
High-resolution H-1-NMR spectroscopic studies of the metabolism and excretion of ampicillin in rats and amoxicillin in rats and man
10.1111/j.2042-7158.1994.tb03755.x · 1994 · External reference
Homonuclear and heteronuclear coupling in 5′-Amp as probed by 2-dimensional proton nuclear magnetic-resonance spectroscopy
10.1021/ja00516a061 · 1979 · External reference
Signal suppression/enhancement in HPLC-ESI-MS/MS from concomitant medications
10.1002/bmc.863 · 2007 · External reference
Analytical reproducibility in H-1 NMR-based metabonomic urinalysis
10.1021/tx0255774 · 2002 · External reference
High-throughput 1H NMR-based metabolic analysis of human serum and urine for large-scale epidemiological studies: validation study
10.1093/ije/dym284 · 2008 · External reference
High resolution (1)H NMR spectroscopic studies on dynamic biochemical processes in incubated human seminal fluid samples
10.1016/s0304-4165(97)00116-5 · 1998 · External reference
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
10.1007/s10858-011-9480-x · 2011 · External reference
The phenotype of a knockout mouse identifies flavin-containing monooxygenase 5 (FMO5) as a regulator of metabolic ageing
10.1016/j.bcp.2015.05.013 · 2015 · External reference
Improved methods for the acquisition and interpretation of NMR metabolomic data
10.1016/j.bbrc.2003.09.092 · 2003 · External reference
Artifacts in 2-dimensional NMR
10.1016/0079-6565(94)80004-9 · 1994 · External reference
Evaluation of fast 2D NMR for metabolomics
10.1021/ac500966e · 2014 · External reference
Assignment of complex 'H NMR spectra via wo-dimensional homonuclear Hartmann–Hahn spectroscopy
10.1021/ja00295a052 · 1985 · External reference
Computational strategies for metabolite identification in metabolomics
10.4155/bio.09.138 · 2009 · External reference
Pattern recognition methods and applications in biomedical magnetic resonance
10.1016/s0079-6565(00)00036-4 · 2001 · External reference
Hierarchical multiblock PLS and PC models for easier model interpretation and as an alternative to variable selection
10.1002/(sici)1099-128x(199609)10:5/6<463::aid-cem445>3.0.co;2-l · 1996 · External reference
10.1016/s0169-7439(01)00155-1
10.1016/s0169-7439(01)00155-1 · External reference
Orthogonal projections to latent structures (O-PLS)
10.1002/cem.695 · 2002 · External reference
Automatic data reduction and pattern recognition methods for analysis of 1H nuclear magnetic resonance spectra of human urine from normal and pathological states
10.1006/abio.1994.1339 · 1994 · External reference
Chemometric models for toxicity classification based on NMR spectra of biofluids
10.1021/tx990210t · 2000 · External reference
10.1021/pr060594q
10.1021/pr060594q · External reference
Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets
10.1021/ac048630x · 2005 · External reference
The evolution of partial least squares models and related chemometric approaches in metabonomics and metabolic phenotyping
2010 · External reference
Statistical HOmogeneous cluster SpectroscopY (SHOCSY): an optimized statistical approach for clustering of 1H NMR spectral data to reduce interference and enhance robust biomarkers selection
10.1021/ac500161k · 2014 · External reference
10.1021/ac048803i
10.1021/ac048803i · External reference
Reducing over-optimism in variable selection by cross-model validation
10.1016/j.chemolab.2006.04.021 · 2006 · External reference
Assessing the performance of statistical validation tools for megavariate metabolomics data
10.1007/s11306-006-0022-6 · 2006 · External reference
10.1007/s11306-011-0330-3
10.1007/s11306-011-0330-3 · External reference
10.1007/978-3-540-45087-0_28
10.1007/978-3-540-45087-0_28 · 2003 · External reference
10.1366/0003702934067694
10.1366/0003702934067694 · External reference
A novel series of milbemycin antibiotics from streptomyces strain-E225.2. Isolation, characterization, structure elucidation and solution conformations
10.7164/antibiotics.43.1069 · 1990 · External reference
Isolation, structure elucidation, and synthesis of novel penicillin degradation products — Thietan-2-Ones
10.1039/p29900001559 · 1990 · External reference
10.1093/nar/gkm957
10.1093/nar/gkm957 · External reference
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)
10.1007/s11306-011-0347-7 · 2012 · External reference
Unresolved reference
2014 · External reference
10.1007/s11306-007-0082-2
10.1007/s11306-007-0082-2 · External reference
10.1007/s11306-007-0070-6
10.1007/s11306-007-0070-6 · External reference
The role of reporting standards for metabolite annotation and identification in metabolomic studies
10.1186/2047-217x-2-13 · 2013 · External reference
Metabolite identification: are you sure? And how do your peers gauge your confidence?
10.1007/s11306-014-0656-8 · 2014 · External reference
Proposed quantitative and alphanumeric metabolite identification metrics
10.1007/s11306-014-0739-6 · 2014 · External reference
MetAssign: probabilistic annotation of metabolites from LC–MS data using a Bayesian clustering approach
10.1093/bioinformatics/btu370 · 2014 · External reference
10.1016/j.csbj.2015.01.002
10.1016/j.csbj.2015.01.002 · External reference
Salting-out assisted liquid–liquid extraction for bioanalysis
10.4155/bio.13.117 · 2013 · External reference
Extraction for metabolomics: access to the metabolome
10.1002/pca.2505 · 2014 · External reference
Fast experiments for structure elucidation of small molecules: Hadamard NMR with multiple receivers
2015 · External reference
Statistical spectroscopic tools for biomarker discovery and systems medicine
10.1021/ac4007254 · 2013 · External reference
