speaq 2.0: A complete workflow for high-throughput 1D NMR spectra processing and quantification

An R package for the integrated analysis of metabolomics and spectral data

(2016) Christopher Costa et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

(2016) Ralf J. M. Weber et al.   Metabolomics

Can NMR solve some significant challenges in metabolomics?

(2015) G.A. Nagana Gowda et al.   JOURNAL OF MAGNETIC RESONANCE

Orchestrating high-throughput genomic analysis with Bioconductor

(2015) Wolfgang Huber et al.   NATURE METHODS

MetaboAnalyst 3.0—making metabolomics more meaningful

(2015) Jianguo Xia et al.   NUCLEIC ACIDS RESEARCH

Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics

(2015) Siamak Ravanbakhsh et al.   PLoS One

MVAPACK: A Complete Data Handling Package for NMR Metabolomics

(2014) Bradley Worley et al.   ACS Chemical Biology

Optimized bucketing for NMR spectra: Three case studies

(2013) S.A.A. Sousa et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review

(2012) Agnieszka Smolinska et al.   ANALYTICA CHIMICA ACTA

Variable Reference Alignment: An Improved Peak Alignment Protocol for NMR Spectral Data with Large Intersample Variation

(2012) Neil MacKinnon et al.   ANALYTICAL CHEMISTRY

BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model

(2012) J. Hao et al.   BIOINFORMATICS

MetaboAnalyst 2.0--a comprehensive server for metabolomic data analysis

(2012) J. Xia et al.   NUCLEIC ACIDS RESEARCH

HMDB 3.0—The Human Metabolome Database in 2013

(2012) David S. Wishart et al.   NUCLEIC ACIDS RESEARCH

MissForest--non-parametric missing value imputation for mixed-type data

(2011) D. J. Stekhoven et al.   BIOINFORMATICS

An integrated workflow for robust alignment and simplified quantitative analysis of NMR spectrometry data

(2011) Trung N Vu et al.   BMC BIOINFORMATICS

Metabolomics and Cardiovascular Biomarker Discovery

(2011) E. P. Rhee et al.   CLINICAL CHEMISTRY

Quantitative Metabolomics by 1H-NMR and LC-MS/MS Confirms Altered Metabolic Pathways in Diabetes

(2010) Ian R. Lanza et al.   PLoS One

An exploratory NMR nutri-metabonomic investigation reveals dimethyl sulfone as a dietary biomarker for onion intake

(2009) Hanne Winning et al.   ANALYST

Comparison of public peak detection algorithms for MALDI mass spectrometry data analysis

(2009) Chao Yang et al.   BMC BIOINFORMATICS

icoshift: A versatile tool for the rapid alignment of 1D NMR spectra

(2009) F. Savorani et al.   JOURNAL OF MAGNETIC RESONANCE

MetaboAnalyst: a web server for metabolomic data analysis and interpretation

(2009) J. Xia et al.   NUCLEIC ACIDS RESEARCH

NMR-Based Characterization of Metabolic Alterations in Hypertension Using an Adaptive, Intelligent Binning Algorithm

(2008) Tim De Meyer et al.   ANALYTICAL CHEMISTRY

Gaussian binning: a new kernel-based method for processing NMR spectroscopic data for metabolomics

(2008) Paul E. Anderson et al.   Metabolomics