Published in Gigascience on October 16, 2013
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Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review. Metabolomics (2014) 1.24
Analytical methods in untargeted metabolomics: state of the art in 2015. Front Bioeng Biotechnol (2015) 1.08
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A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency. Comput Struct Biotechnol J (2015) 0.78
Non-targeted metabolomics and lipidomics LC-MS data from maternal plasma of 180 healthy pregnant women. Gigascience (2015) 0.78
Meta-analysis of clinical metabolic profiling studies in cancer: challenges and opportunities. EMBO Mol Med (2016) 0.78
Enhanced acylcarnitine annotation in high-resolution mass spectrometry data: fragmentation analysis for the classification and annotation of acylcarnitines. Front Bioeng Biotechnol (2015) 0.77
Mass spectrometry as a quantitative tool in plant metabolomics. Philos Trans A Math Phys Eng Sci (2016) 0.77
Navigating the road ahead: addressing challenges for use of metabolomics in epidemiology studies. Metabolomics (2014) 0.77
Removing the bottlenecks of cell culture metabolomics: fast normalization procedure, correlation of metabolites to cell number, and impact of the cell harvesting method. Metabolomics (2016) 0.76
Global open data management in metabolomics. Curr Opin Chem Biol (2017) 0.75
Towards an open grapevine information system. Hortic Res (2016) 0.75
Bar Coding MS(2) Spectra for Metabolite Identification. Anal Chem (2016) 0.75
Metabolomic and Metagenomic Analysis of Two Crude Oil Production Pipelines Experiencing Differential Rates of Corrosion. Front Microbiol (2017) 0.75
Data in support of enhancing metabolomics research through data mining. Data Brief (2015) 0.75
Metabolic Signatures in Response to Abscisic Acid (ABA) Treatment in Brassica napus Guard Cells Revealed by Metabolomics. Sci Rep (2017) 0.75
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MetaboLights: towards a new COSMOS of metabolomics data management. Metabolomics (2012) 1.53
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The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013. Nucleic Acids Res (2012) 6.90
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Identification of novel genes in Arabidopsis involved in secondary cell wall formation using expression profiling and reverse genetics. Plant Cell (2005) 4.01
MetaboLights--an open-access general-purpose repository for metabolomics studies and associated meta-data. Nucleic Acids Res (2012) 3.32
A proposed framework for the description of plant metabolomics experiments and their results. Nat Biotechnol (2004) 3.32
Metabolic fingerprinting in disease diagnosis: biomedical applications of infrared and Raman spectroscopy. Analyst (2006) 2.89
Rhea--a manually curated resource of biochemical reactions. Nucleic Acids Res (2011) 2.87
Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML vocabulary for spectral data. J Chem Inf Model (2007) 2.79
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Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. Chem Soc Rev (2010) 2.50
The Enzyme Portal: a case study in applying user-centred design methods in bioinformatics. BMC Bioinformatics (2013) 2.14
Discrimination of bacteria using surface-enhanced Raman spectroscopy. Anal Chem (2004) 2.08
Comparison of five xylan synthesis mutants reveals new insight into the mechanisms of xylan synthesis. Plant J (2007) 2.07
Metabolomics: current technologies and future trends. Proteomics (2006) 1.98
Bioclipse: an open source workbench for chemo- and bioinformatics. BMC Bioinformatics (2007) 1.97
High-throughput tissue extraction protocol for NMR- and MS-based metabolomics. Anal Biochem (2007) 1.97
Metabolomic technologies and their application to the study of plants and plant-host interactions. Physiol Plant (2008) 1.86
OrChem - An open source chemistry search engine for Oracle(R). J Cheminform (2009) 1.71
Bioclipse 2: a scriptable integration platform for the life sciences. BMC Bioinformatics (2009) 1.69
CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinformatics (2010) 1.68
The role of metabolites and metabolomics in clinically applicable biomarkers of disease. Arch Toxicol (2010) 1.58
Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets. Bioinformatics (2011) 1.57
Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites. Anal Chem (2008) 1.56
Bioinformatics meets user-centred design: a perspective. PLoS Comput Biol (2012) 1.55
MetaboLights: towards a new COSMOS of metabolomics data management. Metabolomics (2012) 1.53
Discovery of metabolic signatures for predicting whole organism toxicology. Toxicol Sci (2010) 1.52
The chemical information ontology: provenance and disambiguation for chemical data on the biological semantic web. PLoS One (2011) 1.52
Metabolic fingerprinting as a diagnostic tool. Pharmacogenomics (2007) 1.51
Optimized metabolite extraction from blood serum for 1H nuclear magnetic resonance spectroscopy. Anal Biochem (2008) 1.51
Structure and function of BamE within the outer membrane and the β-barrel assembly machine. EMBO Rep (2011) 1.45
Minimum information about a bioactive entity (MIABE). Nat Rev Drug Discov (2011) 1.44
Genetic algorithm optimization for pre-processing and variable selection of spectroscopic data. Bioinformatics (2004) 1.43
Improved classification accuracy in 1- and 2-dimensional NMR metabolomics data using the variance stabilising generalised logarithm transformation. BMC Bioinformatics (2007) 1.41
Surface-enhanced Raman scattering for the rapid discrimination of bacteria. Faraday Discuss (2006) 1.36
Fumarate is cardioprotective via activation of the Nrf2 antioxidant pathway. Cell Metab (2012) 1.35
Effective quenching processes for physiologically valid metabolite profiling of suspension cultured Mammalian cells. Anal Chem (2009) 1.35
Spectral relative standard deviation: a practical benchmark in metabolomics. Analyst (2008) 1.30
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Metabolomic profiling of drug responses in acute myeloid leukaemia cell lines. PLoS One (2009) 1.28
Development and performance of a gas chromatography-time-of-flight mass spectrometry analysis for large-scale nontargeted metabolomic studies of human serum. Anal Chem (2009) 1.28
Dovetailing biology and chemistry: integrating the Gene Ontology with the ChEBI chemical ontology. BMC Genomics (2013) 1.27
New developments on the cheminformatics open workflow environment CDK-Taverna. J Cheminform (2011) 1.27
Inter-laboratory reproducibility of fast gas chromatography-electron impact-time of flight mass spectrometry (GC-EI-TOF/MS) based plant metabolomics. Metabolomics (2009) 1.27
Effects of temperature on host-pathogen-drug interactions in red abalone, Haliotis rufescens, determined by 1H NMR metabolomics. Environ Sci Technol (2006) 1.25
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J Cheminform (2011) 1.22
Characterisation and identification of bacteria using SERS. Chem Soc Rev (2008) 1.20
Natural product-likeness score revisited: an open-source, open-data implementation. BMC Bioinformatics (2012) 1.19
A database for chemical proteomics: ChEBI. Methods Mol Biol (2012) 1.19
Direct sampling of organisms from the field and knowledge of their phenotype: key recommendations for environmental metabolomics. Environ Sci Technol (2007) 1.18
Two-dimensional J-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox. Phytochem Anal (2009) 1.18
Shining light on the microbial world the application of Raman microspectroscopy. Adv Appl Microbiol (2010) 1.17
A signal filtering method for improved quantification and noise discrimination in fourier transform ion cyclotron resonance mass spectrometry-based metabolomics data. J Am Soc Mass Spectrom (2009) 1.17
Fingerprinting food: current technologies for the detection of food adulteration and contamination. Chem Soc Rev (2012) 1.12
Rapid and quantitative detection of the microbial spoilage of meat by fourier transform infrared spectroscopy and machine learning. Appl Environ Microbiol (2002) 1.11
NMR-based metabolomic analysis of cerebrospinal fluid and serum in neurological diseases--a diagnostic tool? NMR Biomed (2010) 1.10
Remodeling of central metabolism in invasive breast cancer compared to normal breast tissue - a GC-TOFMS based metabolomics study. BMC Genomics (2012) 1.10
In support of the BMRB. Nat Struct Mol Biol (2012) 1.09
The MetaboLights repository: curation challenges in metabolomics. Database (Oxford) (2013) 1.08
Is serum or plasma more appropriate for intersubject comparisons in metabolomic studies? An assessment in patients with small-cell lung cancer. Anal Chem (2011) 1.07
Surface-enhanced Raman spectroscopy for bacterial discrimination utilizing a scanning electron microscope with a Raman spectroscopy interface. Anal Chem (2004) 1.05
Characterization of isotopic abundance measurements in high resolution FT-ICR and Orbitrap mass spectra for improved confidence of metabolite identification. Anal Chem (2011) 1.04
So what have data standards ever done for us? The view from metabolomics. Genome Med (2010) 1.03
Combined bezafibrate and medroxyprogesterone acetate: potential novel therapy for acute myeloid leukaemia. PLoS One (2009) 1.03
Characterization of microorganisms using UV resonance Raman spectroscopy and chemometrics. Anal Chem (2004) 1.02
Differentiation of Micromonospora isolates from a coastal sediment in Wales on the basis of Fourier transform infrared spectroscopy, 16S rRNA sequence analysis, and the amplified fragment length polymorphism technique. Appl Environ Microbiol (2004) 1.02
Extensive metabolic cross-talk in melon fruit revealed by spatial and developmental combinatorial metabolomics. New Phytol (2011) 1.01
Discrimination models using variance-stabilizing transformation of metabolomic NMR data. OMICS (2004) 1.01
Hypoxia triggers major metabolic changes in AML cells without altering indomethacin-induced TCA cycle deregulation. ACS Chem Biol (2010) 1.01
Functional genomics via metabolic footprinting: monitoring metabolite secretion by Escherichia coli tryptophan metabolism mutants using FT-IR and direct injection electrospray mass spectrometry. Comp Funct Genomics (2003) 1.01
Metabolite extraction from suspension-cultured mammalian cells for global metabolite profiling. Nat Protoc (2011) 1.00
LipidHome: a database of theoretical lipids optimized for high throughput mass spectrometry lipidomics. PLoS One (2013) 1.00
Improved identification of metabolites in complex mixtures using HSQC NMR spectroscopy. Anal Chim Acta (2008) 1.00
Relatedness of medically important strains of Saccharomyces cerevisiae as revealed by phylogenetics and metabolomics. Yeast (2008) 1.00
1H NMR, GC-EI-TOFMS, and data set correlation for fruit metabolomics: application to spatial metabolite analysis in melon. Anal Chem (2009) 1.00
KNIME-CDK: Workflow-driven cheminformatics. BMC Bioinformatics (2013) 0.99
Metabolic fingerprints of Mycobacterium bovis cluster with molecular type: implications for genotype-phenotype links. Microbiology (2006) 0.98
An introduction to liquid chromatography-mass spectrometry instrumentation applied in plant metabolomic analyses. Phytochem Anal (2009) 0.98
Surface-enhanced Raman scattering from intracellular and extracellular bacterial locations. Anal Chem (2008) 0.97
The impact of inflammation on metabolomic profiles in patients with arthritis. Arthritis Rheum (2013) 0.97
Application of high-throughput Fourier-transform infrared spectroscopy in toxicology studies: contribution to a study on the development of an animal model for idiosyncratic toxicity. Toxicol Lett (2004) 0.97
Metabolic footprinting as a tool for discriminating between brewing yeasts. Yeast (2007) 0.97
(1)H NMR metabolomics reveals contrasting response by male and female mussels exposed to reduced seawater pH, increased temperature, and a pathogen. Environ Sci Technol (2014) 0.96
Evolutionary-algorithm-based strategy for computer-assisted structure elucidation. J Chem Inf Comput Sci (2004) 0.96
Biomarkers of dietary energy restriction in women at increased risk of breast cancer. Cancer Prev Res (Phila) (2009) 0.96
Metabolic fingerprinting of salt-stressed tomatoes. Phytochemistry (2003) 0.96
Metabolic changes in flatfish hepatic tumours revealed by NMR-based metabolomics and metabolic correlation networks. J Proteome Res (2008) 0.95
Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway. Angew Chem Int Ed Engl (2007) 0.95
PYCHEM: a multivariate analysis package for python. Bioinformatics (2006) 0.95
Metabolite profiling of recombinant CHO cells: designing tailored feeding regimes that enhance recombinant antibody production. Biotechnol Bioeng (2011) 0.95
Effects of the application of different window functions and projection methods on processing of 1H J-resolved nuclear magnetic resonance spectra for metabolomics. Anal Chim Acta (2008) 0.95
Structure-based classification and ontology in chemistry. J Cheminform (2012) 0.95
Metabolomics of microliter hemolymph samples enables an improved understanding of the combined metabolic and transcriptional responses of Daphnia magna to cadmium. Environ Sci Technol (2011) 0.94