A comparative evaluation of the generalised predictive ability of eight machine learning algorithms across ten clinical metabolomics data sets for binary classification

The Consortium of Metabolomics Studies (COMETS): Metabolomics in 47 Prospective Cohort Studies

(2019) Bing Yu et al.   AMERICAN JOURNAL OF EPIDEMIOLOGY

Toward collaborative open data science in metabolomics using Jupyter Notebooks and cloud computing

(2019) Kevin M. Mendez et al.   Metabolomics

International Ring Trial of a High Resolution Targeted Metabolomics and Lipidomics Platform for Serum and Plasma Analysis

(2019) J. Will Thompson et al.   ANALYTICAL CHEMISTRY

The application of artificial neural networks in metabolomics: a historical perspective

(2019) Kevin M. Mendez et al.   Metabolomics

Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies

(2018) David Broadhurst et al.   Metabolomics

Serum metabolomic profiles associated with postmenopausal hormone use

(2018) Victoria L. Stevens et al.   Metabolomics

Gut microbiome structure and metabolic activity in inflammatory bowel disease

(2018) Eric A. Franzosa et al.   Nature Microbiology

HMDB 4.0: the human metabolome database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

Science and data science

(2017) David M. Blei et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Distinct signatures of dental plaque metabolic byproducts dictated by periodontal inflammatory status

(2017) Akito Sakanaka et al.   Scientific Reports

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

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

A tutorial review: Metabolomics and partial least squares-discriminant analysis – a marriage of convenience or a shotgun wedding

(2015) Piotr S. Gromski et al.   ANALYTICA CHIMICA ACTA

1H-NMR urinary metabolomic profiling for diagnosis of gastric cancer

(2015) Angela W Chan et al.   BRITISH JOURNAL OF CANCER

Investigation of Metabolomic Blood Biomarkers for Detection of Adenocarcinoma Lung Cancer

(2015) J. F. Fahrmann et al.   CANCER EPIDEMIOLOGY BIOMARKERS & PREVENTION

Analysis of the Human Adult Urinary Metabolome Variations with Age, Body Mass Index, and Gender by Implementing a Comprehensive Workflow for Univariate and OPLS Statistical Analyses

(2015) Etienne A. Thévenot et al.   JOURNAL OF PROTEOME RESEARCH

Metabolic profiling reveals anomalous energy metabolism and oxidative stress pathways in chronic fatigue syndrome patients

(2015) Christopher W. Armstrong et al.   Metabolomics

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools

(2015) Manish Sud et al.   NUCLEIC ACIDS RESEARCH

Tidy Data

(2015) Hadley Wickham   Journal of Statistical Software

Large-scale Metabolomic Profiling Identifies Novel Biomarkers for Incident Coronary Heart Disease

(2014) Andrea Ganna et al.   PLoS Genetics

Monounsaturated fatty acids in serum triacylglycerols are associated with response to neoadjuvant chemotherapy in breast cancer patients

(2013) Mika Hilvo et al.   INTERNATIONAL JOURNAL OF CANCER

Translational biomarker discovery in clinical metabolomics: an introductory tutorial

(2012) Jianguo Xia et al.   Metabolomics

Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies

(2011) Ewa Szymańska et al.   Metabolomics

Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

(2010) Warwick B. Dunn et al.   CHEMICAL SOCIETY REVIEWS

MassBank: a public repository for sharing mass spectral data for life sciences

(2010) Hisayuki Horai et al.   JOURNAL OF MASS SPECTROMETRY

Some nonlinear challenges in biology

(2008) Francesco Mosconi et al.   NONLINEARITY