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David S. Wishart
Researcher at University of Alberta
Publications - 564
Citations - 93527
David S. Wishart is an academic researcher from University of Alberta. The author has contributed to research in topics: Metabolomics & Medicine. The author has an hindex of 108, co-authored 523 publications receiving 76652 citations. Previous affiliations of David S. Wishart include La Trobe University & International Agency for Research on Cancer.
Papers
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Book ChapterDOI
Practical Aspects of NMR-Based Metabolomics.
David S. Wishart,Manoj K. Rout,Brian L. Lee,Mark V. Berjanskii,Marcia LeVatte,Matthias Lipfert +5 more
TL;DR: This chapter provides a detailed description of some of the practical aspects of performing NMR-based metabolomics studies including sample preparation, pulse sequence selection, and spectral acquisition and processing and describes several software packages to help users process NMR spectra obtained via these two different approaches.
Journal ArticleDOI
Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity? Response from the MIABE group
Sandra Orchard,Bissan Al-Lazikani,Steve Bryant,Dominic Clark,Elizabeth Calder,Ian Dix,Ola Engkvist,Mark Forster,Anna Gaulton,Michael K. Gilson,Robert C. Glen,Martin Grigorov,Kim E. Hammond-Kosack,Lee Harland,Andrew L. Hopkins,Christopher Larminie,Nick Lynch,Romeena K. Mann,Peter Murray-Rust,Elena Lo Piparo,Christopher Southan,Christoph Steinbeck,David S. Wishart,Henning Hermjakob,John P. Overington,Janet M. Thornton +25 more
TL;DR: Shouldn't enantiomeric purity be included in the 'minimum information about a bioactive entity?' response from the MIABE group.
Journal ArticleDOI
165 The Metabolomic Profile of Umbilical Cord Blood in Neonatal Hypoxic Ischaemic Encephalopathy
Brian H. Walsh,David Broadhurst,R. Mandal,David S. Wishart,Geraldine B. Boylan,LC Kenny,Deirdre M. Murray +6 more
TL;DR: The description of the metabolomic profile from umbilical cord plasma and the specific metabolite signature associated with HIE, offers insight into the disease mechanism and the possibility of an early screening test.
Journal ArticleDOI
PlasMapper 3.0—a web server for generating, editing, annotating and visualizing publication quality plasmid maps
TL;DR: PlasMapper 3.0 as mentioned in this paper is a web server that allows users to generate, edit, annotate and interactively visualize publication quality plasmid maps, which are used to plan, design, share and publish critical information about gene cloning experiments.
Journal ArticleDOI
Accurate prediction of isothermal gas chromatographic Kováts retention indices.
TL;DR: RIpred as mentioned in this paper predicts Gas Chromatographic Kováts Retention Indices (RI) using SMILES strings as chemical structure input, using a Graph Neural Network (GNN) that used compound structures, their extracted features (mostly atom-level features) and the National Institute of Standards and Technology databases (NIST 17 and NIST 20).