MetaboAnalystR 3.0: Toward an Optimized Workflow for Global Metabolomics

Optimization of XCMS parameters for LC–MS metabolomics: an assessment of automated versus manual tuning and its effect on the final results

(2020) Oihane E. Albóniga et al.   Metabolomics

Mass spectrometry as a tool to advance polymer science

(2020) Kevin De Bruycker et al.   Nature Reviews Chemistry

AutoTuner: High Fidelity and Robust Parameter Selection for Metabolomics Data Processing

(2020) Craig McLean et al.   ANALYTICAL CHEMISTRY

MetaboAnalystR 3.0: Toward an Optimized Workflow for Global Metabolomics

(2020) Zhiqiang Pang et al.   Metabolites

Multi-omics of the gut microbial ecosystem in inflammatory bowel diseases

(2019) Jason Lloyd-Price et al.   NATURE

WaveICA: A novel algorithm to remove batch effects for large-scale untargeted metabolomics data based on wavelet analysis

(2019) Kui Deng et al.   ANALYTICA CHIMICA ACTA

Comprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection

(2018) Zhucui Li et al.   ANALYTICA CHIMICA ACTA

MetaboAnalystR: an R package for flexible and reproducible analysis of metabolomics data

(2018) Jasmine Chong et al.   BIOINFORMATICS

Hyaluronan in inflammatory bowel disease: Cross-linking inflammation and coagulation

(2018) Aaron C. Petrey et al.   MATRIX BIOLOGY

Towards predicting the environmental metabolome from metagenomics with a mechanistic model

(2018) Daniel R. Garza et al.   Nature Microbiology

Automated optimization of XCMS parameters for improved peak picking of liquid chromatography-mass spectrometry data using the coefficient of variation and parameter sweeping for untargeted metabolomics

(2018) Sascha K. Manier et al.   Drug Testing and Analysis

From mass to metabolite in human untargeted metabolomics: Recent advances in annotation of metabolites applying liquid chromatography-mass spectrometry data

(2018) William J. Nash et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Lipid and Bile Acid Dysmetabolism in Crohn’s Disease

(2018) Koji Uchiyama et al.   Journal of Immunology Research

Challenges, progress and promises of metabolite annotation for LC–MS-based metabolomics

(2018) Romanas Chaleckis et al.   CURRENT OPINION IN BIOTECHNOLOGY

Alterations in lipid, amino acid, and energy metabolism distinguish Crohn’s disease from ulcerative colitis and control subjects by serum metabolomic profiling

(2017) Elizabeth A. Scoville et al.   Metabolomics

NOREVA: normalization and evaluation of MS-based metabolomics data

(2017) Bo Li et al.   NUCLEIC ACIDS RESEARCH

Computational Metabolomics: A Framework for the Million Metabolome

(2016) Karan Uppal et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Impact of High-Dose Vitamin D3 Supplementation in Patients with Crohn’s Disease in Remission: A Pilot Randomized Double-Blind Controlled Study

(2016) Neeraj Narula et al.   DIGESTIVE DISEASES AND SCIENCES

Improved batch correction in untargeted MS-based metabolomics

(2016) Ron Wehrens et al.   Metabolomics

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

Statistical Methods for Handling Unwanted Variation in Metabolomics Data

(2015) Alysha M. De Livera et al.   ANALYTICAL CHEMISTRY

IPO: a tool for automated optimization of XCMS parameters

(2015) Gunnar Libiseller et al.   BMC BIOINFORMATICS

Differential effect of vitamin D on NOD2- and TLR-induced cytokines in Crohn’s disease

(2014) S Dionne et al.   Mucosal Immunology

Normalization of RNA-seq data using factor analysis of control genes or samples

(2014) Davide Risso et al.   NATURE BIOTECHNOLOGY

Metabolomics Data Normalization with EigenMS

(2014) Yuliya V. Karpievitch et al.   PLoS One

Metabolite Profiling of a NIST Standard Reference Material for Human Plasma (SRM 1950): GC-MS, LC-MS, NMR, and Clinical Laboratory Analyses, Libraries, and Web-Based Resources

(2013) Yamil Simón-Manso et al.   ANALYTICAL CHEMISTRY

Time-Saving Design of Experiment Protocol for Optimization of LC-MS Data Processing in Metabolomic Approaches

(2013) Hong Zheng et al.   ANALYTICAL CHEMISTRY

Predicting Network Activity from High Throughput Metabolomics

(2013) Shuzhao Li et al.   PLoS Computational Biology

Strategy for Optimizing LC-MS Data Processing in Metabolomics: A Design of Experiments Approach

(2012) Mattias Eliasson et al.   ANALYTICAL CHEMISTRY

Normalizing and Integrating Metabolomics Data

(2012) Alysha M. De Livera et al.   ANALYTICAL CHEMISTRY

A cross-platform toolkit for mass spectrometry and proteomics

(2012) Matthew C Chambers et al.   NATURE BIOTECHNOLOGY

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

(2011) Warwick B Dunn et al.   Nature Protocols

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

(2010) Tomáš Pluskal et al.   BMC BIOINFORMATICS

Compensation for Systematic Cross-Contribution Improves Normalization of Mass Spectrometry Based Metabolomics Data

(2009) Henning Redestig et al.   ANALYTICAL CHEMISTRY