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Genome Medicine|November 17, 2012
Moving metabolomics from a data-driven science to an integrative systems scienceStacey N Reinke, David I BroadhurstMetabolomics : Official Journal of the Metabolomic Society|November 16, 2019
A comparative evaluation of the generalised predictive ability of eight machine learning algorithms across ten clinical metabolomics data sets for binary classificationKevin M Mendez, Stacey N Reinke, David I BroadhurstMetabolomics : Official Journal of the Metabolomic Society|January 23, 2020
Migrating from partial least squares discriminant analysis to artificial neural networks: a comparison of functionally equivalent visualisation and feature contribution tools using jupyter notebooksKevin M Mendez, David I Broadhurst, Stacey N ReinkeMetabolomics : Official Journal of the Metabolomic Society|October 20, 2019
The application of artificial neural networks in metabolomics: a historical perspectiveKevin M Mendez, David I Broadhurst, Stacey N ReinkeAnalytical Chemistry|December 4, 2003
Explanatory optimization of protein mass spectrometry via genetic searchSeetharaman Vaidyanathan, David I Broadhurst, Douglas B Kell, et al.Metabolomics : Official Journal of the Metabolomic Society|April 2, 2013
Translational biomarker discovery in clinical metabolomics: an introductory tutorialJianguo Xia, David I Broadhurst, Michael Wilson, et al.Metabolomics : Official Journal of the Metabolomic Society|September 16, 2019
Toward collaborative open data science in metabolomics using Jupyter Notebooks and cloud computingKevin M Mendez, Leighton Pritchard, Stacey N Reinke, et al.Scientific Data|May 16, 2015
Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality controlJennifer A Kirwan, Ralf J M Weber, David I Broadhurst, et al.Molecular Biosystems|March 3, 2016
Metabolomics reveals the physiological response of Pseudomonas putida KT2440 (UWC1) after pharmaceutical exposureFelicity Currie, David I Broadhurst, Warwick B Dunn, et al.Chemical Society Reviews|August 19, 2010
Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopyWarwick B Dunn, David I Broadhurst, Helen J Atherton, et al.Pageof 4