Publications
Publications (published, accepted, or in print)
Xia J, Bjorndahl TC, Tang P, Wishart DS. MetaboMiner--semi-automated identification of metabolites from 2D NMR spectra of complex biofluids. BMC Bioinformatics. 2008 Nov 28;9:507. [PMID:19040747] [PDF]
Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I. HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. Epub 2008 Oct 25. [PMID:18953024] [PDF]
Wishart DS. Quantitative metabolomics using NMR. Trends Analyt. Chem. 27: 228-237 (2008).
Wishart DS. Applications of metabolomics in drug discovery and development. Drugs R D. 2008;9(5):307-22. [PMID:18721000]
Wishart DS. DrugBank and its relevance to pharmacogenomics. Pharmacogenomics. 2008 Aug;9(8):1155-62. [PMID:18681788]
Wishart DS, Lewis MJ, Morrissey JA, Flegel MD, Jeroncic K, Xiong Y, Cheng D, Eisner R, Gautam B, Tzur D, Sawhney S, Bamforth F, Greiner R, Li L. The human cerebrospinal fluid metabolome. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Aug 15;871(2):164-73. Epub 2008 May 8. [PMID:18502700] [PDF]
Cheng D, Knox C, Young N, Stothard P, Damaraju S, Wishart DS. PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites. Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W399-405. Epub 2008 May 16. [PMID:18487273] [PDF]
Shearer J, Duggan G, Weljie A, Hittel DS, Wasserman DH, Vogel HJ. Metabolomic profiling of dietary-induced insulin resistance in the high fat-fed C57BL/6J mouse. Diabetes Obes Metab. 2008 Sep;10(10):950-8. Epub 2008 Jan 22. [PMID:18215169] [PDF]
Wishart DS. Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking. Methods Mol Biol. 2008;443:333-51. [PMID:18446295] [PDF]
Wishart DS. Metabolomics: a complementary tool in renal transplantation. Contrib Nephrol. 2008;160:76-87. Review. [PMID:18401163]
Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. [PMID:18048412] [PDF]
Guo K, Ji C, and Li L. Stable-isotope dimethylation labeling combined with LC-ESI MS for quantification of amine-containing metabolites in biological samples. Anal Chem. 2007 Nov 15;79(22):8631-8. Epub 2007 Oct 10. [PMID:17927139] [PDF]
Weljie AM, Dowlatabadi R, Miller BJ, Vogel HJ, Jirik FR. An inflammatory arthritis-associated metabolite biomarker pattern revealed by 1H NMR spectroscopy. J. Proteome Research. 2007 Sep;6(9):3456-64. Epub 2007 Aug 15. [PMID:17696462] [PDF]
Wishart DS. Improving Early Drug Discovery through ADME Modelling: An Overview. Drugs R D. 2007;8(6):349-62. [PMID:17963426]
Wishart DS. Current Progress in computational metabolomics. Brief Bioinform. 2007 Sep;8(5):279-93. Epub 2007 Jul 11. [PMID:17626065] [PDF]
Wishart DS. Drug-target discovery in silico: using the web to identify novel molecular targets for drug action. SEB Exp Biol Ser. 2007;58:145-76. [PMID:17608241]
Materi M, Wishart DS. Computational Systems Biology in Cancer: Modeling Methods and Applications. Gene Reg. Systems Biol. 2007;1:91-110.
Wishart DS. The Human Metabolome Database: Completing the 'Human Parts List'. Pharmacogenomics 2007;8:683-686. [PMID:18240899]
Wishart DS. Proteomics and the human metabolome project. Expert Rev Proteomics. 2007 Jun;4(3):333-5. [PMID:17552914] [PDF]
Chiruta C, Jachak S, Clive DLJ. A convenient general method for the synthesis of hydroxy diacids. Tetrahedron Letters. 30 Apr 2007;48(18):3141-3143. [PDF]
Materi W, Wishart DS. Computational systems biology in drug discovery and development: methods and applications. Drug Discov Today. 2007 Apr;12(7-8):295-303. Epub 2007 Mar 7. [PDF] [PMID:17395089]
Wishart DS. "Drug-target discovery in silico: using the web to identify novel molecular targets for drug action" in Comparative Genomics and Proteomics in Drug Discovery (eds. J. Parrington and K. Coward), Taylor and Francis Group, New York; Abingdon, England, pp. 145-176 (2007). [PDF]
Wishart DS. "Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking" in Molecular Modeling of Proteins (ed. A. Kukol) Humana Press, NJ (2007).
Materi W, Gombos Z, Wishart DS. "Proteins: Hormones, Enzymes, and Monoclonal Antibodies-Background" in Handbook of Pharmaceutical Biotechnology, (ed. SC Gad) John Wiley & Sons, Inc., Hoboken, NJ, pp. 773-822 (2007). [PDF]
Wishart DS. "In Silico Drug Exploration and Discovery using DrugBank" in Current Protocols in Bioinformatics (ed. A. Baxevanis). Current Protocols, Wiley Interscience, NY, Chapter 14.4 (2007).
Wishart DS. "Introduction to Cheminformatics" in Current Protocols in Bioinformatics (ed. A. Baxevanis). Current Protocols, Wiley Interscience, NY, Chapter 14.1 (2007).
Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N, Cheng D, Jewell K, Arndt D, Sawhney S, Fung C, Nikolai L, Lewis M, Coutouly M-A, Forsythe I, Tang P, Shrivastava S, Jeroncic K, Stothard P, Amegbey G, Block D, Hau DD, Wagner J, Miniaci J, Clements M, Gebremedhin M, Guo N, Zhang Y, Duggan GE, MacInnis GD, Weljie AM, Dowlatabadi R, Bamforth F, Clive D, Greiner R, Li L, Marrie T, Sykes BD, Vogel HJ, Querengesser L. HMDB: The Human Metabolome Database. Nucleic Acids Research 2007 Jan;35(Database issue):D521-6. [PDF]
Wishart DS and Greiner R. Computational Approaches to Metabolomics: An Introduction. Pacific Symposium on Biocomputing 12:112-114 (2007). [PDF]
Knox C, Shrivastava S, Stothard P, Eisner R, Wishart DS. BioSpider: a web server for automating metabolome annotations. Pacific Symposium on Biocomputing 2007;12:145-156. [PDF]
Wishart DS. Drug-target discovery in silico: using the web to identify novel molecular targets for drug action. SEB Exp Biol Ser. 2006;58:145-76. [PMID:17608241]
Saude EJ, Sykes BD. Urine Stability for Metabolomic Studies: Effects of Preparation and Storage. Metabolomics (2006). [PDF]
Wishart DS. "Metabolomics for Drug Discovery, Development and Monitoring" Touch Briefings - Future Drug Discovery 2006, pp.1-3, (2006). [PDF]
Saude E, Slupsky C, Sykes B. Optimization of NMR analysis of biological fluids for quantitative accuracy, Metabolomics 2, 113-123 (2006). [PDF]
Wishart DS. Metabolomics in Monitoring Kidney Transplants. Curr Opin Nephrol Hypertens. 2006 Nov;15(6):637-42. [PDF]
Stothard P, Wishart DS. Automated bacterial genome analysis and annotation. Curr Opin Microbiol. 2006 Oct;9(5):505-10. Epub 2006 Aug 22. Review. [PDF]
Poulin B, Eisner R, Szafron D, Lu P, Greiner R, Wishart DS, Fyshe A, Pearcy B, MacDonell C, Anvik J. "Visual Explanation of Evidence in Additive Classifiers" in Proceedings of the 18th Conference on Innovative Applications of Artificial Intelligence (IAAI-06), pp. 1822-1829, Boston, MA, July 16-20, 2006. [PDF]
Jiao F, Wang S, Lee C, Greiner R, Schuurmans D. "Semi-Supervised Conditional Random Fields for Improved Sequence Segmentation and Labeling", International Committee on Computational Linguistics and the Association for Computational Linguistics, July 2006. [PDF]
Pireddu L, Szafron D, Lu P, Greiner R. The Path-A metabolic pathway prediction web server. Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W714-9. [PDF] [PMID:16845105]
Wishart DS. "Metabolism and Metabolic Disease Resources on the Web" in Online Molecular and Metabolic Basis of Inherited Disease - OMMBID (eds. Scriver Baudet, Sly, Valle, Childs, Kinzler, Vogelstein), John Wiley & Sons, New York, Chapter 3.1 (2006). [HTML] [PDF]
Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 2006 Jan 1;34(Database issue):D668-72. [PDF]
Wishart D. "Metabolomics in Humans and Other Mammals" in Metabolome Analysis: An Introduction (ed. Silas G. Villas-Bôas) John Wiley & Sons, Hoboken. [PDF]
Wishart DS. Metabolomics: The Principles and Potential Applications to Transplantation. Am J Transplant. 2005 Dec;5(12):2814-20. Review. [PDF]
Pireddu L, Poulin B, Szafron D, Lu P, Wishart DS. "Pathway Analyst-Automated Metabolic Pathway Prediction" in Proceedings of 2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, pp. 243-250, San Diego, USA, November 2005. [PDF]
Wishart DS, Yang R, Arndt D, Tang P, Cruz JA. Dynamic Cellular Automata: An Alternative Approach to Cellular Simulation, In Silico Biol. 2005;5(2):139-161. [HTML] [PDF]
Wishart DS. Bioinformatics in Drug Development and Assessment. Drug Metabolism Reviews 2005;37(2):279-310. [PDF]
Wishart DS. NMR Spectroscopy and Protein Structure Determination: Applications to Drug Discovery and Development. Current Pharm Biotech 2005 Apr;6(2):105-120. [PMID:15853690]
Patents
Wishart DS et al. Compound Identification and Quantitation in Liquid Mixtures — Method and Process Using an Automated Nuclear Magnetic Resonance Measurement System (awarded in June 2005).
Abstracts and Posters
Forsythe I, Wishart DS, Li L, Greiner R, Sykes BD, Bamforth F, Clive D, Vogel H. "Metabolomics - Revolutionizing Healthcare, Agriculture, Nutrition and Food Production in the 21st Century", poster presented at the Canadian Proteome Society Regional Meeting - Omics & Systems Biology, Edmonton, AB, Feb. 21-22, 2008. [PDF]
Duggan G, Weljie A, Vogel H, Shearer J. "Prediction of Dietary-Induced Insulin Resistance in Mice by Targeted Profiling of Magnetic Resonance Spectra", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Shaykhutdinov R, MacInnis G, Weljie A, Vogel H. "Quantitative Analysis of Metabolite Concentrations in Human Urine Samples using 13C{1H} NMR Spectroscopy", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Eisner R, Knox C, Cheng D, Greiner R, Wishart DS. "Text Analysis in the Human Metabolome Project", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Wishart DS, Li L, Greiner R, Sykes B, Bamforth F, Clive D, Forsythe I, Vogel H. "Metabolomics and the Human Metabolome Project", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Lewis MJ, Morrissey J, Jeroncic KG, Wishart DS. "Identification and Quantification of the Human CSF Metabolome", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Tzur D, Forsythe I, Guo AC, Shrivastava S, Tang P, Wishart DS. "The Human Metabolome Library", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Xia J, Lewis MJ, Wishart DS, "Automatics Metabolite Identification in Biofluids Using 2D TOCSY Spectroscopy", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Peng J, Hau DD, Xia J, Lewis MJ, Wishart DS. "Human Serum Metabolomics Studied by 1H NMR", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System for Metabolomics", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Clements M, Li L. "Microsome-based metabolite identification for expanding the human metabolome MS/MS database", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Zuniga A, Li L. "Improving Methodology for Microsome-based Metabolite Identification", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Lewis A, Li L. "Optimization of SPE for Metabolomics Applications", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Xiong Y, Li L. "Metabolomic Profile of Human Urine Generated by LC-FTICR-MS", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Tang P, Arndt D, Cruz J, Yang R, Fung C, Wishart DS. "Dynamic Cellular Automata: An Alternative Approach to Cellular Simulation", poster presented at the CPI 2007 Meeting, Ottawa, ON, June 16-18, 2007.
Eisner R, Knox C, Cheng D, Greiner R, Wishart DS. "Text Analysis in the Human Metabolome Project", poster presented at the 3rd Annual Meeting of the Metabolomics Society, Manchester UK, June 11-14, 2007.
Tzur D, Forsythe I, Guo AC, Shrivastava S, Tang P, Wishart DS. "The Human Metabolome Library", poster presented at the 3rd Annual Meeting of the Metabolomics Society, Manchester UK, June 11-14, 2007.
Clements M, Li L. "Microsome-based metabolite identification for expanding the human metabolome MS/MS database", oral presentation at the 55th ASMS Conference on Mass Spectrometry in Indianapolis, June 3-7, 2007.
Guo K, Li L. "Quantitation of Amine-containing Metabolites in Human Urine by 13C-Stable Isotope Dimethylation and Dansylation Labeling with LC-FT-ICR-MS", poster presented at the 55th ASMS Conference on Mass Spectrometry in Indianapolis, June 3-7, 2007.
Xiong Y, Li L. "Metabolomic Profile of Human Cerebral Spinal Fluid Generated by LC-FT-ICR-MS", poster presented at the 55th ASMS Conference on Mass Spectrometry, June 3-7, 2007, Indianapolis, Indiana.
Wishart DS, Li L, Greiner R, Sykes B, Bamforth F, Vogel H, Querengesser L, Forsythe I. "Metabolomics and the Human Metabolome Project", poster presented at CHI's Identifying and Validating Metabolic Markers for Drug Development and Clinical Studies poster session, Orlando, Florida, December 4-5, 2006. [PowerPoint]
Hau DD, Xia J, Wishart DS. "In Vitro Metabolic Mapping by NMR Spectroscopy: Part 1 of the Four-Dimensional Project", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Lewis MJ, Nikolai LN, Jeroncic KG, Wishart DS. "Identification and Quantification of the Human CSF Metabolome", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Arndt D, Fung C, Cruz J, Tang P, Yang R, Wishart DS. "SimCell: A Cellular Simulation System for Metabolic Modeling", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System for Metabolomics", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Cheng D, Zhang H, Young N, Knox C, Stothard P, Damaraju S, Wishart DS. "PolySearch: A Web Based Text Mining System for Extracting Relationships between Diseases, Genes, Mutations, Drugs and Metabolites", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Ametaj BN, Emmanuel DGV, Lewis MJ, Jeroncic K, Nikolai L, Shanthipoosan S, Wishart DS. "Bovine Metabolomics: Profiling of Rumen Fluid Metabolites in Dairy Cattle", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Eisner R, Knox C, Greiner R, Wishart DS. "Predicting Chemical Properties of Small Molecules", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Wagner J, Greiner R, Baracos V, Mourtzakis M, Prado C, Slupsky C, Rankin K, Chang D, McGeer A, Marrie T, Nikolai L, Lewis M, Coutouly M-A, Wishart DS. "Using Metabolomic Profiles to Diagnose Patients", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint] [PDF]
Patterson J, Pireddu L, Szafron D, Lu P, Greiner R. "Pathway Analyst - Automated Metabolic Pathway Prediction", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Guo K, Ji C, Li L. "Quantitative Analysis of the Human Metabolome by Differential Dimethyl Labeling of Amine-containing Metabolites Using LC-MS", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Clements M, Marcus S, Zhang Y, Li L. "Cell-Based Metabolite Identification for Expanding the Human Metabolome MS/MS Database", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Saude EJ, Skappak C, Sykes BD, Adamko D. "Urinary Biomarkers of Asthma Inflammation in Children: The Use of NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Saude EJ, Obiefuna I, Sykes BD, Adamko DJ. "Metabolomic Study of a Guinea Pig Model of Asthma", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Saude EJ, Sykes BD. "Urine Stability for Metabolomic Studies: Effects of Preparation and Storage", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Reinke SN, Szeto SSW, Sykes BD, Lemire BD. "Characterization of mitochondrial diseases modeled in Caenorhabditis elegans and Saccharomyces cerevisiae using 1H NMR", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, Dowlatabadi R, Weljie AM, Thorpe TA, Yeung EC. "Developing Robust White Spruce Trees for Reforestation: Metabolic Footprinting by 1H-NMR", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, MacInnis GD, Weljie AM. "The Determination and Quantification of Metabolites Present in Human Urine Samples Using 13C{1H} NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Duggan GE, Vogel HJ, Shearer J, Weljie AM. "NMR Spectral Alignment for Multivariate Analysis of Type I & II Diabetic Mouse Models", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, Weljie AM, Dowlatabadi R, MacInnis G, Duggan GE, Shaykhutdinov R. "The Metabolomics Research Centre: Model Systems and Human Health", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Weljie AM, Dowlatabadi R, Miller BJ, Jirik FR, Vogel HJ. "Application of 1H NMR Metabolomics to a Murine Model of Inflammatory Arthritis", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Rankin K, Chang D, Lix B, Saude E, Shah S, Marrie T, Slupsky C. "Diurnal and Gender Variation in Healthy Human Subjects Using 1H NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Eisner R, Greiner R, Wishart DS, Knox C. "Predicting Chemical Properties of Metabolites", poster presented at the 2006 ISMB (Intelligent Systems in Molecular Biology) Conference, Fortaleza, Brazil, August 4-7, 2006. [PDF]
Wopereis S, Van Ommen B, Gibney M, Gibney S, German B, Knox C, Cheng D, Wishart DS, Querengesser L. "Development of the Public Wiki Nutritional Metabolomics Biology Database: NuGOwiki", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Wishart DS, Li L, Greiner R, Marrie T, Sykes BD, Bamforth F, Vogel H, Querengesser L. "Metabolomics and the Human Metabolome Project", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System For Metabolomics", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Saude EJ, Slupsky C, Sykes BD. "Optimization of NMR Analysis of Biological Fluids for Quantitative Accuracy", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006. [PDF]
Rankin KJ, Slupsky CM, Chang D, Lix B, Saude E, Shah SL, Marrie TJ. "Diurnal and gender variation in healthy human subjects using 1H-NMR spectroscopy", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Ji C, Guo K, Li L. "Quantitative Profiling of Primary and Secondary Amine-Contained Metabolites in Urine Using Differential Reductive Amination Labeling and LC-MS", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Wen Z, Zhang Y, Li L. "Single-Column Multi-Mode HPLC Separation and its Application for Amino Acid Analysis", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Guo N, Tzur D, Young N, Wishart DS, Li L. "Creation and Application of Human Metabolome MS/MS Database", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Gebremedhin M, Nikolai L, Amegbey G, Wishart DS, Li L. "Metabolite Profiling in Human Urine by NMR and MS", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006. [PowerPoint]
Clements M, Marcus S, Zhang Y, Li L. "Cell-Based Metabolite Identification for Expanding the Human Metabolome MS/MS Database", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006. [PDF]
Nikolai LN, Lewis MJ, Gebre M, Zhang Y, Jeroncic K, Wishart DS, Li L. "Identification and Quantification of Human Metabolites from Plasma and CSF Using HPLC, MS and NMR", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Obiefuna IP, Saude EJ, Sykes BD, Adamko DJ. "Identification of Metabolic Markers of Asthma Inflammation Using 1H-NMR Spectroscopy of Guinea Pig Urine", poster presented at the American Thoracic Society, May 19, 2006.
Cheng D, Zhang H, Young N, Damaraju S, Wishart DS. "PolySearch: A Web Based System Integrating PubMed, Human Genome Data and Primer Design Tools for Management of Pharmacogenomic Projects", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006. [PowerPoint]
Shrivastava S, Guo AC, Forsythe I, Wishart DS. "Data Mining Tools for DrugBank and The Human Metabolite Database", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006.
Gebremedhin M, Nikolai L, Amegbey G, Li L, Wishart DS. "Determination of Human Urine Metabolites by MS and NMR", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006.
Nikolai L, Wishart DS, Li L. "Identification and Quantification of Human Metabolites from Plasma Using HPLC, MS and NMR", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006. [PDF]
Dowlatabadi R, Weljie AM, Thorpe TA, Vogel HJ, Yeung EC. "Developing Robust White Spruce Trees for Reforestation: Metabolic Footprinting by 1H-NMR", abstract presented at the International Symposium on Hyphenation-NMR techniques, Tuebingen, Germany, March 27-28, 2006.
Tzur D, Jeroncic K, Jewell K, Block D, Knox C, Eisner R, Guo A, Stothard P, Forsythe I, Shrivastava S, Greiner R, Wishart DS. "The Human Metabolome Database (HMDB)", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Wishart DS, Querengesser L. "Metabolomics and the Human Metabolome Project", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Shrivastava S, Knox C, Stothard P, Greiner R, Wishart DS. "Data Mining Tools for Curation of the Human Metabolome Database", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Block D, Tzur D. "Metabolomics Ontologies and Standards", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Cruz J, Tang P, Arndt D, Yang R, Wishart DS. "SimCell: A Cellular Simulation System for Metabolic Modeling", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Wang S, Greiner R. "Text Mining in the Human Metabolome Project: Identifying metabolite mentions in text via semi-supervised structured learning of conditional random fields", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PDF]
Saude EJ, Slupsky C, Sykes BD. "Metabolic Relaxation and Quantitative Accuracy", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005.
Skappak C, Saude EJ, Sykes BD, Adamko D. "Using Nuclear Magnetic Resonance Spectroscopy to Monitor Asthma in Children", poster presented at the Alberta Heritage Foundation for Medical Research Summer Student poster session, October 21, 2005.
Alexander K, Bamforth F. Poster presentation at the WISEST research presentation day, Lister Hall, University of Alberta, August 12, 2005. [PowerPoint]
Querengesser L, Wishart DS. "The Human Metabolome Project and its Impact on Human Disease", abstract presented at the 1st Annual Meeting of the Metabolomics Society, Tsuruoka City, Japan, June 20-23, 2005. [PowerPoint]
Saude EJ, Chang D, Shah SL, Rowe B, Sykes BD, Adamko D. "NMR Detection of Oxidative Stress in Asthma Patient Urine", poster presented at the American Thoracic Society, May 20-25, 2005.
Saude EJ, Chang D, Slupsky CM, Adamko DJ, Rowe B, Shah SL, Sykes BD. "NMR-based Metabolomic Investigation of Asthma and Therapeutic Response", abstract presented at the 9th Frontiers of NMR in Molecular Biology Keystone Symposium, Banff, AB, Jan. 29-Feb. 4, 2005. [PDF]
Wishart DS, Sykes BD, Vogel H, Clive D, Li L, Greiner R, Ellison M, Bamforth F. "NMR and the Human Metabolome Project", abstract presented at the 9th Frontiers of NMR in Molecular Biology Keystone Symposium, Banff, AB, Jan. 29-Feb. 4, 2005. [PowerPoint]
Chang D, Saude EJ, Slupsky CM, Sykes BD, Shah SL. "Multivariate Methods for Metabolomics", abstract presented at Cambridge Healthtech Institute's Fifth Annual Metabolic Profiling: Pathways in Discovery, on December 13-14, 2004, Florida, U.S.A.
Wishart DS, Querengesser L. "Metabolomics and the Human Metabolome Project", abstract presented at the 3rd Annual National Genomics and Proteomics Symposium, Vancouver, BC, Nov. 24-25, 2004. [PowerPoint]
Chang D, Saude EJ, Sykes BD, Shah SL. "The Use of Metabolomics in the Study of Human Disease and Medicine", abstract presented at the 54th Annual Canadian Society for Chemical Engineering, Oct. 2-6, 2004.
Public or Invited Lectures
Wishart DS. "Metabolomics - Databases & Standards" presented at ELIXIR/EBI International Metabolomics Workshop, Cambridge, UK, Jan. 27, 2009. [PDF]
Wishart DS, Forsythe I, O'Neill A. "University of Alberta Metabolomics Platform - Novel Drug Discovery - High-speed target identification through metabolic profiling", presented during the Canadian Bio/Pharma Mission to EU "Working with Canadian partners to accelerate your drug discovery and development projects" at Palazzo Affari ai Giureconsulti, Sala Parlamentino, Milan, Italy, on November 14, 2008.
Wishart DS, Forsythe I, O'Neill A. "Novel Drug Discovery - High-speed target identification through metabolic profiling", presented during the Canadian Bio/Pharma Mission to EU "Canadian BioPharma Research and Investment Mini Seminar" at Medicon Valley Alliance, Copenhagen, Denmark, on November 13, 2008.
Wishart DS, Forsythe I, O'Neill A. "University of Alberta Metabolomics Platform - Accelerating drug development through metabolomics", presented during the Canadian Bio/Pharma Mission to EU "Working with Canadian partners to accelerate your drug discovery and development projects" at Canada House, Trafalgar Square, London, UK, on November 11, 2008. [PDF]
Wishart DS. "DrugBank: An Update" presented at EBI Druggability Portal Workshop, Hinxton, UK, Nov. 7, 2008. [PDF]
Wishart DS. "Metabolomics in Food & Nutrition Science" presented at Alberta Institute for Human Nutrition, University of Alberta, Edmonton, AB, Canada, Oct. 21, 2008. [PDF]
Wishart DS. "Clinical Biomarkers from Biofluid Metabolomics" presented at CHI Biomarkers Summit - 9th Metabolic Biomarkers Conference, Philadelpia, PA, Sep. 30, 2008. [PDF]
Wishart DS. "New Tools for Structural Proteomics" presented at CPI08, Burnaby, BC, May 5, 2008. [PDF]
Wishart DS. "Towards Quantitative Metabolomics" presented at Bio-IT World Conference, Boston, MA, Apr. 30, 2008. [PDF]
Wishart DS. "Applications of Metabolomics in Nutritional Science" presented at University of North Carolina at Chapel Hill & Nutrition Research Institute at Kannapolis, North Carolina, Feb. 13, 2008. [PDF]
Wishart DS. "DrugBank2" presented at EBI Druggability Portal Workshop, Hinxton, UK, Feb. 4-5, 2008. [PDF]
Wishart DS. "How Bioinformatics Helped Reveal the Human Metabolome" presented at InCOB 2007, Hong Kong, Aug. 28, 2007.
Wishart DS. "The Human Metabolome Project" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Li L. "Recent Development on the Human Metabolome MS/MS Database" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Weljie A. "Metabolite biomarkers of scleroderma elucidated using 1H NMR metabolomics" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Wishart DS. "The Metabolomics ToolBox: Applications to Organ Transplant Monitoring" presented at the ATAGC Conference - Using Omics Technologies to Phenotype Diseases, Edmonton AB, June 18, 2007.
Wishart DS. "The Human Metabolome Project: An Update for 2007" presented at the 3rd Annual Conference of the Metabolomics Society, Manchester UK, June 12, 2007.
Wishart DS. "The Human Metabolome Project: Past, Present and Future" presented at Agilent Technologies, Santa Clara CA, May 11, 2007.
Wishart DS. "Metabolomics and Structural Proteomics" presented at the University of Toronto and the Structural Genomics Consortium, Toronto, ON, April 25, 2007.
Wishart DS. "Bioinformatics and the Human Metabolome Project" presented at the First Annual Who We Are and What We Eat Conference, Charlotte, NC, April 17, 2007.
Wishart DS. "Computational Approaches to Metabolomics: A Tutorial" presented at the 2007 Pacific Symposium on Biocomputing, Maui, Hawaii, January 4, 2007.
Wishart DS. "Introduction to Computational Aspects of Metabolomics" presented at the 2007 Pacific Symposium on Biocomputing, Maui, Hawaii, January 4, 2007.
Arndt D. "SimCell", lecture presented at the Wishart Research Group Meeting, Department of Computing Science, University of Alberta, Edmonton, AB, November 17, 2006. [PowerPoint]
Wishart DS. "The Human Metabolome Project", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Vogel HJ. "Challenges on the road to implementing metabolomics as a clinical tool", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Knox C. "Metabolomics automated data acquisition tools", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Sykes BD. "Human biofluid metabonomics: what is normal?", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Li L. "Mass spectrometry for human metabolome analysis", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Marrie T. "Can the Etiology of Pneumonia be Determined by Urinary Metabolomic Profiles?", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Department of Chemistry, Zhejiang University, Hangzhou, China, September 27, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the 4th International Symposium of Worldwide Chinese Scholars on Analytical Chemistry, Dalian, China, September 25, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the Carlsberg Research Laboratory, Copenhagen, Denmark, August 25, 2006.
Wishart DS. "Proteomics and Informatics: The Fundamentals" presented at the APIII 2006 (Advancing Practice through Instruction, Innovation and Informatics) Conference, Vancouver, BC, August 17, 2006.
Wishart DS. "Metabolomics: The Other Side of Proteomics" presented at the APIII 2006 (Advancing Practice through Instruction, Innovation and Informatics) Conference, Vancouver, BC, August 17, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Chinese Mass Spectrometry Society conference, Urumuqi, China, July 31, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the Beijing Proteome Research Institute, Beijing, China, July 28, 2006.
Wishart DS. "Metabolomics in Canada" presented at the Genome Canada Proteomics Workshop, Montreal, QC, July 12, 2006.
Li L. "Development of Mass Spectrometry for Metabolomics", lecture presented at MDS Sciex, Toronto, ON, July 11, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the International Water Research Workshop, Edmonton, AB, July 7, 2006.
Wishart DS. "The Human Metabolome Project" presented at the 2nd Annual Metabolomics Society Meeting, Boston, MA, June 28, 2006.
Wishart DS. "MetaboLIMS: A general Laboratory Information Management System for Metabolomics" presented at the 2nd Annual Metabolomics Society Meeting, Boston, MA, June 28, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Canadian Society of Analytical Chemistry and Spectroscopy, Kelowna, BC, June 19, 2006.
MacInnis GD, Weljie AM, and Vogel HJ. "The Determination and Quantification of Metabolites Present in Human Urine Samples Using 13C{1H} NMR Spectroscopy", lecture presented at the 89th Canadian Chemistry Conference, Halifax, NS, May 27-31, 2006. [PDF]
Wishart DS. "A New Strategy for Disease Diagnosis" presented at the University of Alberta Alumni Association Meeting, Edmonton, AB, April 20, 2006.
Wishart DS. "NMR, Structural Genomics and Metabolomics - What's the Connection" presented at the 6th Annual Protein Structure Initiative Bottlenecks Workshop, Bethesda, MD, April 14, 2006.
Wishart DS. "The Human Metabolome Project" LMC Genome Canada Nutrigenomics Workshop, Roskilde, Denmark, March 17, 2006.
Wishart DS. "Protein Feature Identification" presented at the University of Calgary, Calgary, AB, March 14, 2006.
Wishart DS. "Integrative Bioinformatics and Cheminformatics" Stockholm Bioinformatics Centre, Stockholm, Sweden, Feb 24, 2006.
Wishart DS. "Functional Genomics and Bioinformatics" presented at the Karolinska Institute, Stockholm Sweden, Feb. 23, 2006.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, Clemson University, Clemson, SC, February 23, 2006.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, University of Georgia, Athens, GA, February 22, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Tissue Proteomics" Complex Carbohydrate Research Center, University of Georgia, Athens, GA, February 22, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Tissue Proteomics" Medical School, Emory University, Atlanta, GA, February 21, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, University of Minnesota, Minneapolis, MN, February 9, 2006.
Wishart DS. "The Human Metabolome Project" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005. [PowerPoint]
Vogel H. "Metabolomics and Metabolic Footprinting: From Arthritis to Smelly Carrots" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005.
Marrie T. "Community Acquired Pneumonia and Metabolomics" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005.
Wishart DS. "The Bioinformatics of Small Molecules" presented at the Vancouver Bioinformatics User Group (VanBUG) Monthly Meeting, Vancouver, BC, Oct. 13, 2005. [PowerPoint]
Wishart DS. "Systems Biology in Bioscience and Medicine" presented at the DGKL (German Society of Clinical Laboratory Medicine) Annual Conference, Jena, Germany, Oct. 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project: Its Application to Disease Diagnosis and Monitoring" presented at the 3rd Annual GHI (Genomics and Health Initiative) Conference, Ottawa, ON, Sept. 2005. [PowerPoint]
Li L. "LC-MALDI MS for Proteomics Applications", Workshop on Standards and Metrology for Cancer Diagnostics, National Cancer Institute, Washington DC, August 18, 2005.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications", Beijing Genomics and Proteomics Institutes, Chinese Academy of Sciences, China, August 1, 2005.
Li L. "Enabling Separation and Mass Spectrometry Techniques for Proteomics Applications", DICP Symposium (VII) on Separation and Detection of Biomolecules, Dalian, China, July 28, 2005.
Li L. "Enabling Separation and Mass Spectrometry Techniques for Proteomics Applications", Shanghai Institute of Biochemistry and Cell Biology, Chinese Academy of Sciences, China, July 26, 2005.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications", Department of Chemistry, Zhejiang University, Hangzhou, China, July 25, 2005.
Wishart DS. "Metabolomics: The Basics" presented at the 8th International Banff Symposium on Organ Transplantation, Edmonton, AB, July 2005. [PowerPoint]
Querengesser L, Wishart DS. "The Human Metabolome Project and its Impact on Human Disease" presented at the 1st Annual Meeting of the Metabolomics Society, Tsuruoka City, Japan, June 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project" presented at the PolyomX Research Seminar Series, Edmonton, AB, June 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project and its Impact on Human Disease". Keynote speaker at the 2005 AGM and Garrod Symposium for the Application of Technologies for the Study of Inborn Errors of Metabolism, Ottawa, ON, May 2005. [PowerPoint]
Sykes BD (organizer), Keystone Symposia Frontiers of NMR in Molecular Biology IX, Banff, Alberta, Feb. 2005, including workshop: "New Methods for Metabonomics and Drug Discovery".
Wishart DS. ABRF 2005 Workshop Presentation, "Mass spectrometric identification using Mascot", Feb. 2005.
Wishart DS. "NMR & Metabolomics: The Possibilities and the Limitations" presented at the NRC-GHI workshop on Metabolomics, Ottawa, ON, Dec. 2004. [PowerPoint]
Wishart DS. "SimCell: A Novel Computational Approach to Cellular Simulation" presented at the University of Toronto, Toronto, ON, Dec. 2004. [PowerPoint]
Wishart DS. "Project CyberCell" presented at Computational Cell Biology, MITRE Inc., McLean, Virginia, USA, Sep. 2004. [PowerPoint]
Wishart DS. "Bioinformatics: Impact on Health and Drug Development" presented at the 7th International Society for the Study of Xenobiotics (ISSX) conference, Vancouver, BC, Aug. 31, 2004. [PowerPoint]
Wishart DS. "An Integrative Approach to Modelling E. coli" presented at the Symposium on Integrative Bioinformatics - Aspects of the Virtual Cell, Dagstuhl, Germany, July 4-9, 2004. [PowerPoint]
Wishart DS. "Cellular Simulation Using Cellular Automata" presented at the Dagstuhl Seminar 04281 Integrative Bioinformatics - Aspects of the Virtual Cell Biological Simulation Workshop, Schloss Dagstuhl, Germany, July 4-9, 2004.
Xia J, Bjorndahl TC, Tang P, Wishart DS. MetaboMiner--semi-automated identification of metabolites from 2D NMR spectra of complex biofluids. BMC Bioinformatics. 2008 Nov 28;9:507. [PMID:19040747] [PDF]
Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I. HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. Epub 2008 Oct 25. [PMID:18953024] [PDF]
Wishart DS. Quantitative metabolomics using NMR. Trends Analyt. Chem. 27: 228-237 (2008).
Wishart DS. Applications of metabolomics in drug discovery and development. Drugs R D. 2008;9(5):307-22. [PMID:18721000]
Wishart DS. DrugBank and its relevance to pharmacogenomics. Pharmacogenomics. 2008 Aug;9(8):1155-62. [PMID:18681788]
Wishart DS, Lewis MJ, Morrissey JA, Flegel MD, Jeroncic K, Xiong Y, Cheng D, Eisner R, Gautam B, Tzur D, Sawhney S, Bamforth F, Greiner R, Li L. The human cerebrospinal fluid metabolome. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Aug 15;871(2):164-73. Epub 2008 May 8. [PMID:18502700] [PDF]
Cheng D, Knox C, Young N, Stothard P, Damaraju S, Wishart DS. PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites. Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W399-405. Epub 2008 May 16. [PMID:18487273] [PDF]
Shearer J, Duggan G, Weljie A, Hittel DS, Wasserman DH, Vogel HJ. Metabolomic profiling of dietary-induced insulin resistance in the high fat-fed C57BL/6J mouse. Diabetes Obes Metab. 2008 Sep;10(10):950-8. Epub 2008 Jan 22. [PMID:18215169] [PDF]
Wishart DS. Identifying putative drug targets and potential drug leads: starting points for virtual screening and docking. Methods Mol Biol. 2008;443:333-51. [PMID:18446295] [PDF]
Wishart DS. Metabolomics: a complementary tool in renal transplantation. Contrib Nephrol. 2008;160:76-87. Review. [PMID:18401163]
Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. Epub 2007 Nov 29. [PMID:18048412] [PDF]
Guo K, Ji C, and Li L. Stable-isotope dimethylation labeling combined with LC-ESI MS for quantification of amine-containing metabolites in biological samples. Anal Chem. 2007 Nov 15;79(22):8631-8. Epub 2007 Oct 10. [PMID:17927139] [PDF]
Weljie AM, Dowlatabadi R, Miller BJ, Vogel HJ, Jirik FR. An inflammatory arthritis-associated metabolite biomarker pattern revealed by 1H NMR spectroscopy. J. Proteome Research. 2007 Sep;6(9):3456-64. Epub 2007 Aug 15. [PMID:17696462] [PDF]
Wishart DS. Improving Early Drug Discovery through ADME Modelling: An Overview. Drugs R D. 2007;8(6):349-62. [PMID:17963426]
Wishart DS. Current Progress in computational metabolomics. Brief Bioinform. 2007 Sep;8(5):279-93. Epub 2007 Jul 11. [PMID:17626065] [PDF]
Wishart DS. Drug-target discovery in silico: using the web to identify novel molecular targets for drug action. SEB Exp Biol Ser. 2007;58:145-76. [PMID:17608241]
Materi M, Wishart DS. Computational Systems Biology in Cancer: Modeling Methods and Applications. Gene Reg. Systems Biol. 2007;1:91-110.
Wishart DS. The Human Metabolome Database: Completing the 'Human Parts List'. Pharmacogenomics 2007;8:683-686. [PMID:18240899]
Wishart DS. Proteomics and the human metabolome project. Expert Rev Proteomics. 2007 Jun;4(3):333-5. [PMID:17552914] [PDF]
Chiruta C, Jachak S, Clive DLJ. A convenient general method for the synthesis of hydroxy diacids. Tetrahedron Letters. 30 Apr 2007;48(18):3141-3143. [PDF]
Materi W, Wishart DS. Computational systems biology in drug discovery and development: methods and applications. Drug Discov Today. 2007 Apr;12(7-8):295-303. Epub 2007 Mar 7. [PDF] [PMID:17395089]
Wishart DS. "Drug-target discovery in silico: using the web to identify novel molecular targets for drug action" in Comparative Genomics and Proteomics in Drug Discovery (eds. J. Parrington and K. Coward), Taylor and Francis Group, New York; Abingdon, England, pp. 145-176 (2007). [PDF]
Wishart DS. "Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking" in Molecular Modeling of Proteins (ed. A. Kukol) Humana Press, NJ (2007).
Materi W, Gombos Z, Wishart DS. "Proteins: Hormones, Enzymes, and Monoclonal Antibodies-Background" in Handbook of Pharmaceutical Biotechnology, (ed. SC Gad) John Wiley & Sons, Inc., Hoboken, NJ, pp. 773-822 (2007). [PDF]
Wishart DS. "In Silico Drug Exploration and Discovery using DrugBank" in Current Protocols in Bioinformatics (ed. A. Baxevanis). Current Protocols, Wiley Interscience, NY, Chapter 14.4 (2007).
Wishart DS. "Introduction to Cheminformatics" in Current Protocols in Bioinformatics (ed. A. Baxevanis). Current Protocols, Wiley Interscience, NY, Chapter 14.1 (2007).
Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N, Cheng D, Jewell K, Arndt D, Sawhney S, Fung C, Nikolai L, Lewis M, Coutouly M-A, Forsythe I, Tang P, Shrivastava S, Jeroncic K, Stothard P, Amegbey G, Block D, Hau DD, Wagner J, Miniaci J, Clements M, Gebremedhin M, Guo N, Zhang Y, Duggan GE, MacInnis GD, Weljie AM, Dowlatabadi R, Bamforth F, Clive D, Greiner R, Li L, Marrie T, Sykes BD, Vogel HJ, Querengesser L. HMDB: The Human Metabolome Database. Nucleic Acids Research 2007 Jan;35(Database issue):D521-6. [PDF]
Wishart DS and Greiner R. Computational Approaches to Metabolomics: An Introduction. Pacific Symposium on Biocomputing 12:112-114 (2007). [PDF]
Knox C, Shrivastava S, Stothard P, Eisner R, Wishart DS. BioSpider: a web server for automating metabolome annotations. Pacific Symposium on Biocomputing 2007;12:145-156. [PDF]
Wishart DS. Drug-target discovery in silico: using the web to identify novel molecular targets for drug action. SEB Exp Biol Ser. 2006;58:145-76. [PMID:17608241]
Saude EJ, Sykes BD. Urine Stability for Metabolomic Studies: Effects of Preparation and Storage. Metabolomics (2006). [PDF]
Wishart DS. "Metabolomics for Drug Discovery, Development and Monitoring" Touch Briefings - Future Drug Discovery 2006, pp.1-3, (2006). [PDF]
Saude E, Slupsky C, Sykes B. Optimization of NMR analysis of biological fluids for quantitative accuracy, Metabolomics 2, 113-123 (2006). [PDF]
Wishart DS. Metabolomics in Monitoring Kidney Transplants. Curr Opin Nephrol Hypertens. 2006 Nov;15(6):637-42. [PDF]
Stothard P, Wishart DS. Automated bacterial genome analysis and annotation. Curr Opin Microbiol. 2006 Oct;9(5):505-10. Epub 2006 Aug 22. Review. [PDF]
Poulin B, Eisner R, Szafron D, Lu P, Greiner R, Wishart DS, Fyshe A, Pearcy B, MacDonell C, Anvik J. "Visual Explanation of Evidence in Additive Classifiers" in Proceedings of the 18th Conference on Innovative Applications of Artificial Intelligence (IAAI-06), pp. 1822-1829, Boston, MA, July 16-20, 2006. [PDF]
Jiao F, Wang S, Lee C, Greiner R, Schuurmans D. "Semi-Supervised Conditional Random Fields for Improved Sequence Segmentation and Labeling", International Committee on Computational Linguistics and the Association for Computational Linguistics, July 2006. [PDF]
Pireddu L, Szafron D, Lu P, Greiner R. The Path-A metabolic pathway prediction web server. Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W714-9. [PDF] [PMID:16845105]
Wishart DS. "Metabolism and Metabolic Disease Resources on the Web" in Online Molecular and Metabolic Basis of Inherited Disease - OMMBID (eds. Scriver Baudet, Sly, Valle, Childs, Kinzler, Vogelstein), John Wiley & Sons, New York, Chapter 3.1 (2006). [HTML] [PDF]
Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J. DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res. 2006 Jan 1;34(Database issue):D668-72. [PDF]
Wishart D. "Metabolomics in Humans and Other Mammals" in Metabolome Analysis: An Introduction (ed. Silas G. Villas-Bôas) John Wiley & Sons, Hoboken. [PDF]
Wishart DS. Metabolomics: The Principles and Potential Applications to Transplantation. Am J Transplant. 2005 Dec;5(12):2814-20. Review. [PDF]
Pireddu L, Poulin B, Szafron D, Lu P, Wishart DS. "Pathway Analyst-Automated Metabolic Pathway Prediction" in Proceedings of 2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, pp. 243-250, San Diego, USA, November 2005. [PDF]
Wishart DS, Yang R, Arndt D, Tang P, Cruz JA. Dynamic Cellular Automata: An Alternative Approach to Cellular Simulation, In Silico Biol. 2005;5(2):139-161. [HTML] [PDF]
Wishart DS. Bioinformatics in Drug Development and Assessment. Drug Metabolism Reviews 2005;37(2):279-310. [PDF]
Wishart DS. NMR Spectroscopy and Protein Structure Determination: Applications to Drug Discovery and Development. Current Pharm Biotech 2005 Apr;6(2):105-120. [PMID:15853690]
Patents
Wishart DS et al. Compound Identification and Quantitation in Liquid Mixtures — Method and Process Using an Automated Nuclear Magnetic Resonance Measurement System (awarded in June 2005).
Abstracts and Posters
Forsythe I, Wishart DS, Li L, Greiner R, Sykes BD, Bamforth F, Clive D, Vogel H. "Metabolomics - Revolutionizing Healthcare, Agriculture, Nutrition and Food Production in the 21st Century", poster presented at the Canadian Proteome Society Regional Meeting - Omics & Systems Biology, Edmonton, AB, Feb. 21-22, 2008. [PDF]
Duggan G, Weljie A, Vogel H, Shearer J. "Prediction of Dietary-Induced Insulin Resistance in Mice by Targeted Profiling of Magnetic Resonance Spectra", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Shaykhutdinov R, MacInnis G, Weljie A, Vogel H. "Quantitative Analysis of Metabolite Concentrations in Human Urine Samples using 13C{1H} NMR Spectroscopy", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Eisner R, Knox C, Cheng D, Greiner R, Wishart DS. "Text Analysis in the Human Metabolome Project", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Wishart DS, Li L, Greiner R, Sykes B, Bamforth F, Clive D, Forsythe I, Vogel H. "Metabolomics and the Human Metabolome Project", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Lewis MJ, Morrissey J, Jeroncic KG, Wishart DS. "Identification and Quantification of the Human CSF Metabolome", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Tzur D, Forsythe I, Guo AC, Shrivastava S, Tang P, Wishart DS. "The Human Metabolome Library", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Xia J, Lewis MJ, Wishart DS, "Automatics Metabolite Identification in Biofluids Using 2D TOCSY Spectroscopy", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Peng J, Hau DD, Xia J, Lewis MJ, Wishart DS. "Human Serum Metabolomics Studied by 1H NMR", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System for Metabolomics", poster presented at the 5th Annual Northern Lights Summer Conference on Metabolomics, Technologies & Applications, Waterloo ON, June 20-23, 2007.
Clements M, Li L. "Microsome-based metabolite identification for expanding the human metabolome MS/MS database", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Zuniga A, Li L. "Improving Methodology for Microsome-based Metabolite Identification", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Lewis A, Li L. "Optimization of SPE for Metabolomics Applications", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Xiong Y, Li L. "Metabolomic Profile of Human Urine Generated by LC-FTICR-MS", poster presented at the 51st CFBS Scientific Conference - 5th Northern Lights Summer Conference, University of Waterloo, Waterloo, ON, June 20-23, 2007.
Tang P, Arndt D, Cruz J, Yang R, Fung C, Wishart DS. "Dynamic Cellular Automata: An Alternative Approach to Cellular Simulation", poster presented at the CPI 2007 Meeting, Ottawa, ON, June 16-18, 2007.
Eisner R, Knox C, Cheng D, Greiner R, Wishart DS. "Text Analysis in the Human Metabolome Project", poster presented at the 3rd Annual Meeting of the Metabolomics Society, Manchester UK, June 11-14, 2007.
Tzur D, Forsythe I, Guo AC, Shrivastava S, Tang P, Wishart DS. "The Human Metabolome Library", poster presented at the 3rd Annual Meeting of the Metabolomics Society, Manchester UK, June 11-14, 2007.
Clements M, Li L. "Microsome-based metabolite identification for expanding the human metabolome MS/MS database", oral presentation at the 55th ASMS Conference on Mass Spectrometry in Indianapolis, June 3-7, 2007.
Guo K, Li L. "Quantitation of Amine-containing Metabolites in Human Urine by 13C-Stable Isotope Dimethylation and Dansylation Labeling with LC-FT-ICR-MS", poster presented at the 55th ASMS Conference on Mass Spectrometry in Indianapolis, June 3-7, 2007.
Xiong Y, Li L. "Metabolomic Profile of Human Cerebral Spinal Fluid Generated by LC-FT-ICR-MS", poster presented at the 55th ASMS Conference on Mass Spectrometry, June 3-7, 2007, Indianapolis, Indiana.
Wishart DS, Li L, Greiner R, Sykes B, Bamforth F, Vogel H, Querengesser L, Forsythe I. "Metabolomics and the Human Metabolome Project", poster presented at CHI's Identifying and Validating Metabolic Markers for Drug Development and Clinical Studies poster session, Orlando, Florida, December 4-5, 2006. [PowerPoint]
Hau DD, Xia J, Wishart DS. "In Vitro Metabolic Mapping by NMR Spectroscopy: Part 1 of the Four-Dimensional Project", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Lewis MJ, Nikolai LN, Jeroncic KG, Wishart DS. "Identification and Quantification of the Human CSF Metabolome", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Arndt D, Fung C, Cruz J, Tang P, Yang R, Wishart DS. "SimCell: A Cellular Simulation System for Metabolic Modeling", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System for Metabolomics", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Cheng D, Zhang H, Young N, Knox C, Stothard P, Damaraju S, Wishart DS. "PolySearch: A Web Based Text Mining System for Extracting Relationships between Diseases, Genes, Mutations, Drugs and Metabolites", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Ametaj BN, Emmanuel DGV, Lewis MJ, Jeroncic K, Nikolai L, Shanthipoosan S, Wishart DS. "Bovine Metabolomics: Profiling of Rumen Fluid Metabolites in Dairy Cattle", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint]
Eisner R, Knox C, Greiner R, Wishart DS. "Predicting Chemical Properties of Small Molecules", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Wagner J, Greiner R, Baracos V, Mourtzakis M, Prado C, Slupsky C, Rankin K, Chang D, McGeer A, Marrie T, Nikolai L, Lewis M, Coutouly M-A, Wishart DS. "Using Metabolomic Profiles to Diagnose Patients", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PowerPoint] [PDF]
Patterson J, Pireddu L, Szafron D, Lu P, Greiner R. "Pathway Analyst - Automated Metabolic Pathway Prediction", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Guo K, Ji C, Li L. "Quantitative Analysis of the Human Metabolome by Differential Dimethyl Labeling of Amine-containing Metabolites Using LC-MS", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Clements M, Marcus S, Zhang Y, Li L. "Cell-Based Metabolite Identification for Expanding the Human Metabolome MS/MS Database", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Saude EJ, Skappak C, Sykes BD, Adamko D. "Urinary Biomarkers of Asthma Inflammation in Children: The Use of NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Saude EJ, Obiefuna I, Sykes BD, Adamko DJ. "Metabolomic Study of a Guinea Pig Model of Asthma", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Saude EJ, Sykes BD. "Urine Stability for Metabolomic Studies: Effects of Preparation and Storage", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006. [PDF]
Reinke SN, Szeto SSW, Sykes BD, Lemire BD. "Characterization of mitochondrial diseases modeled in Caenorhabditis elegans and Saccharomyces cerevisiae using 1H NMR", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, Dowlatabadi R, Weljie AM, Thorpe TA, Yeung EC. "Developing Robust White Spruce Trees for Reforestation: Metabolic Footprinting by 1H-NMR", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, MacInnis GD, Weljie AM. "The Determination and Quantification of Metabolites Present in Human Urine Samples Using 13C{1H} NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Duggan GE, Vogel HJ, Shearer J, Weljie AM. "NMR Spectral Alignment for Multivariate Analysis of Type I & II Diabetic Mouse Models", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Vogel HJ, Weljie AM, Dowlatabadi R, MacInnis G, Duggan GE, Shaykhutdinov R. "The Metabolomics Research Centre: Model Systems and Human Health", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Weljie AM, Dowlatabadi R, Miller BJ, Jirik FR, Vogel HJ. "Application of 1H NMR Metabolomics to a Murine Model of Inflammatory Arthritis", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Rankin K, Chang D, Lix B, Saude E, Shah S, Marrie T, Slupsky C. "Diurnal and Gender Variation in Healthy Human Subjects Using 1H NMR Spectroscopy", poster presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome poster session, Timms Centre, University of Alberta, October 12, 2006.
Eisner R, Greiner R, Wishart DS, Knox C. "Predicting Chemical Properties of Metabolites", poster presented at the 2006 ISMB (Intelligent Systems in Molecular Biology) Conference, Fortaleza, Brazil, August 4-7, 2006. [PDF]
Wopereis S, Van Ommen B, Gibney M, Gibney S, German B, Knox C, Cheng D, Wishart DS, Querengesser L. "Development of the Public Wiki Nutritional Metabolomics Biology Database: NuGOwiki", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Wishart DS, Li L, Greiner R, Marrie T, Sykes BD, Bamforth F, Vogel H, Querengesser L. "Metabolomics and the Human Metabolome Project", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Young N, Jewell K, Block D, Knox C, Tang P, Greiner R, Wishart DS. "MetaboLIMS: A General Laboratory Information Management System For Metabolomics", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Saude EJ, Slupsky C, Sykes BD. "Optimization of NMR Analysis of Biological Fluids for Quantitative Accuracy", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006. [PDF]
Rankin KJ, Slupsky CM, Chang D, Lix B, Saude E, Shah SL, Marrie TJ. "Diurnal and gender variation in healthy human subjects using 1H-NMR spectroscopy", poster presented at the Second Scientific Meeting of the Metabolomics Society poster session, Harvard Medical School, Boston, Massachusetts, June 25-29, 2006.
Ji C, Guo K, Li L. "Quantitative Profiling of Primary and Secondary Amine-Contained Metabolites in Urine Using Differential Reductive Amination Labeling and LC-MS", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Wen Z, Zhang Y, Li L. "Single-Column Multi-Mode HPLC Separation and its Application for Amino Acid Analysis", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Guo N, Tzur D, Young N, Wishart DS, Li L. "Creation and Application of Human Metabolome MS/MS Database", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Gebremedhin M, Nikolai L, Amegbey G, Wishart DS, Li L. "Metabolite Profiling in Human Urine by NMR and MS", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006. [PowerPoint]
Clements M, Marcus S, Zhang Y, Li L. "Cell-Based Metabolite Identification for Expanding the Human Metabolome MS/MS Database", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006. [PDF]
Nikolai LN, Lewis MJ, Gebre M, Zhang Y, Jeroncic K, Wishart DS, Li L. "Identification and Quantification of Human Metabolites from Plasma and CSF Using HPLC, MS and NMR", poster presented at the American Society for Mass Spectrometry Conference held in Seattle, from May 28 to June 1, 2006.
Obiefuna IP, Saude EJ, Sykes BD, Adamko DJ. "Identification of Metabolic Markers of Asthma Inflammation Using 1H-NMR Spectroscopy of Guinea Pig Urine", poster presented at the American Thoracic Society, May 19, 2006.
Cheng D, Zhang H, Young N, Damaraju S, Wishart DS. "PolySearch: A Web Based System Integrating PubMed, Human Genome Data and Primer Design Tools for Management of Pharmacogenomic Projects", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006. [PowerPoint]
Shrivastava S, Guo AC, Forsythe I, Wishart DS. "Data Mining Tools for DrugBank and The Human Metabolite Database", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006.
Gebremedhin M, Nikolai L, Amegbey G, Li L, Wishart DS. "Determination of Human Urine Metabolites by MS and NMR", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006.
Nikolai L, Wishart DS, Li L. "Identification and Quantification of Human Metabolites from Plasma Using HPLC, MS and NMR", poster presented at the 6th International Conference of the Canadian Proteomics Initiative, Edmonton, Canada, May 10-12, 2006. [PDF]
Dowlatabadi R, Weljie AM, Thorpe TA, Vogel HJ, Yeung EC. "Developing Robust White Spruce Trees for Reforestation: Metabolic Footprinting by 1H-NMR", abstract presented at the International Symposium on Hyphenation-NMR techniques, Tuebingen, Germany, March 27-28, 2006.
Tzur D, Jeroncic K, Jewell K, Block D, Knox C, Eisner R, Guo A, Stothard P, Forsythe I, Shrivastava S, Greiner R, Wishart DS. "The Human Metabolome Database (HMDB)", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Wishart DS, Querengesser L. "Metabolomics and the Human Metabolome Project", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Shrivastava S, Knox C, Stothard P, Greiner R, Wishart DS. "Data Mining Tools for Curation of the Human Metabolome Database", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Block D, Tzur D. "Metabolomics Ontologies and Standards", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Cruz J, Tang P, Arndt D, Yang R, Wishart DS. "SimCell: A Cellular Simulation System for Metabolic Modeling", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PowerPoint]
Wang S, Greiner R. "Text Mining in the Human Metabolome Project: Identifying metabolite mentions in text via semi-supervised structured learning of conditional random fields", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005. [PDF]
Saude EJ, Slupsky C, Sykes BD. "Metabolic Relaxation and Quantitative Accuracy", poster presented at the Metabolomics Symposium: Understanding the Human Metabolome poster session, Telus Centre, University of Alberta, Oct. 25, 2005.
Skappak C, Saude EJ, Sykes BD, Adamko D. "Using Nuclear Magnetic Resonance Spectroscopy to Monitor Asthma in Children", poster presented at the Alberta Heritage Foundation for Medical Research Summer Student poster session, October 21, 2005.
Alexander K, Bamforth F. Poster presentation at the WISEST research presentation day, Lister Hall, University of Alberta, August 12, 2005. [PowerPoint]
Querengesser L, Wishart DS. "The Human Metabolome Project and its Impact on Human Disease", abstract presented at the 1st Annual Meeting of the Metabolomics Society, Tsuruoka City, Japan, June 20-23, 2005. [PowerPoint]
Saude EJ, Chang D, Shah SL, Rowe B, Sykes BD, Adamko D. "NMR Detection of Oxidative Stress in Asthma Patient Urine", poster presented at the American Thoracic Society, May 20-25, 2005.
Saude EJ, Chang D, Slupsky CM, Adamko DJ, Rowe B, Shah SL, Sykes BD. "NMR-based Metabolomic Investigation of Asthma and Therapeutic Response", abstract presented at the 9th Frontiers of NMR in Molecular Biology Keystone Symposium, Banff, AB, Jan. 29-Feb. 4, 2005. [PDF]
Wishart DS, Sykes BD, Vogel H, Clive D, Li L, Greiner R, Ellison M, Bamforth F. "NMR and the Human Metabolome Project", abstract presented at the 9th Frontiers of NMR in Molecular Biology Keystone Symposium, Banff, AB, Jan. 29-Feb. 4, 2005. [PowerPoint]
Chang D, Saude EJ, Slupsky CM, Sykes BD, Shah SL. "Multivariate Methods for Metabolomics", abstract presented at Cambridge Healthtech Institute's Fifth Annual Metabolic Profiling: Pathways in Discovery, on December 13-14, 2004, Florida, U.S.A.
Wishart DS, Querengesser L. "Metabolomics and the Human Metabolome Project", abstract presented at the 3rd Annual National Genomics and Proteomics Symposium, Vancouver, BC, Nov. 24-25, 2004. [PowerPoint]
Chang D, Saude EJ, Sykes BD, Shah SL. "The Use of Metabolomics in the Study of Human Disease and Medicine", abstract presented at the 54th Annual Canadian Society for Chemical Engineering, Oct. 2-6, 2004.
Public or Invited Lectures
Wishart DS. "Metabolomics - Databases & Standards" presented at ELIXIR/EBI International Metabolomics Workshop, Cambridge, UK, Jan. 27, 2009. [PDF]
Wishart DS, Forsythe I, O'Neill A. "University of Alberta Metabolomics Platform - Novel Drug Discovery - High-speed target identification through metabolic profiling", presented during the Canadian Bio/Pharma Mission to EU "Working with Canadian partners to accelerate your drug discovery and development projects" at Palazzo Affari ai Giureconsulti, Sala Parlamentino, Milan, Italy, on November 14, 2008.
Wishart DS, Forsythe I, O'Neill A. "Novel Drug Discovery - High-speed target identification through metabolic profiling", presented during the Canadian Bio/Pharma Mission to EU "Canadian BioPharma Research and Investment Mini Seminar" at Medicon Valley Alliance, Copenhagen, Denmark, on November 13, 2008.
Wishart DS, Forsythe I, O'Neill A. "University of Alberta Metabolomics Platform - Accelerating drug development through metabolomics", presented during the Canadian Bio/Pharma Mission to EU "Working with Canadian partners to accelerate your drug discovery and development projects" at Canada House, Trafalgar Square, London, UK, on November 11, 2008. [PDF]
Wishart DS. "DrugBank: An Update" presented at EBI Druggability Portal Workshop, Hinxton, UK, Nov. 7, 2008. [PDF]
Wishart DS. "Metabolomics in Food & Nutrition Science" presented at Alberta Institute for Human Nutrition, University of Alberta, Edmonton, AB, Canada, Oct. 21, 2008. [PDF]
Wishart DS. "Clinical Biomarkers from Biofluid Metabolomics" presented at CHI Biomarkers Summit - 9th Metabolic Biomarkers Conference, Philadelpia, PA, Sep. 30, 2008. [PDF]
Wishart DS. "New Tools for Structural Proteomics" presented at CPI08, Burnaby, BC, May 5, 2008. [PDF]
Wishart DS. "Towards Quantitative Metabolomics" presented at Bio-IT World Conference, Boston, MA, Apr. 30, 2008. [PDF]
Wishart DS. "Applications of Metabolomics in Nutritional Science" presented at University of North Carolina at Chapel Hill & Nutrition Research Institute at Kannapolis, North Carolina, Feb. 13, 2008. [PDF]
Wishart DS. "DrugBank2" presented at EBI Druggability Portal Workshop, Hinxton, UK, Feb. 4-5, 2008. [PDF]
Wishart DS. "How Bioinformatics Helped Reveal the Human Metabolome" presented at InCOB 2007, Hong Kong, Aug. 28, 2007.
Wishart DS. "The Human Metabolome Project" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Li L. "Recent Development on the Human Metabolome MS/MS Database" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Weljie A. "Metabolite biomarkers of scleroderma elucidated using 1H NMR metabolomics" presented at the 5th Northern Lights Summer Conference on Metabolomics: Technologies & Applications, Waterloo ON, June 21, 2007.
Wishart DS. "The Metabolomics ToolBox: Applications to Organ Transplant Monitoring" presented at the ATAGC Conference - Using Omics Technologies to Phenotype Diseases, Edmonton AB, June 18, 2007.
Wishart DS. "The Human Metabolome Project: An Update for 2007" presented at the 3rd Annual Conference of the Metabolomics Society, Manchester UK, June 12, 2007.
Wishart DS. "The Human Metabolome Project: Past, Present and Future" presented at Agilent Technologies, Santa Clara CA, May 11, 2007.
Wishart DS. "Metabolomics and Structural Proteomics" presented at the University of Toronto and the Structural Genomics Consortium, Toronto, ON, April 25, 2007.
Wishart DS. "Bioinformatics and the Human Metabolome Project" presented at the First Annual Who We Are and What We Eat Conference, Charlotte, NC, April 17, 2007.
Wishart DS. "Computational Approaches to Metabolomics: A Tutorial" presented at the 2007 Pacific Symposium on Biocomputing, Maui, Hawaii, January 4, 2007.
Wishart DS. "Introduction to Computational Aspects of Metabolomics" presented at the 2007 Pacific Symposium on Biocomputing, Maui, Hawaii, January 4, 2007.
Arndt D. "SimCell", lecture presented at the Wishart Research Group Meeting, Department of Computing Science, University of Alberta, Edmonton, AB, November 17, 2006. [PowerPoint]
Wishart DS. "The Human Metabolome Project", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Vogel HJ. "Challenges on the road to implementing metabolomics as a clinical tool", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Knox C. "Metabolomics automated data acquisition tools", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Sykes BD. "Human biofluid metabonomics: what is normal?", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Li L. "Mass spectrometry for human metabolome analysis", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Marrie T. "Can the Etiology of Pneumonia be Determined by Urinary Metabolomic Profiles?", lecture presented at the Second Annual Metabolomics Symposium: Exploring the Human Metabolome, Timms Centre, University of Alberta, Edmonton, AB, October 12, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Department of Chemistry, Zhejiang University, Hangzhou, China, September 27, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the 4th International Symposium of Worldwide Chinese Scholars on Analytical Chemistry, Dalian, China, September 25, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the Carlsberg Research Laboratory, Copenhagen, Denmark, August 25, 2006.
Wishart DS. "Proteomics and Informatics: The Fundamentals" presented at the APIII 2006 (Advancing Practice through Instruction, Innovation and Informatics) Conference, Vancouver, BC, August 17, 2006.
Wishart DS. "Metabolomics: The Other Side of Proteomics" presented at the APIII 2006 (Advancing Practice through Instruction, Innovation and Informatics) Conference, Vancouver, BC, August 17, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Chinese Mass Spectrometry Society conference, Urumuqi, China, July 31, 2006.
Li L. "Development of Mass Spectrometry for Proteomics", lecture presented at the Beijing Proteome Research Institute, Beijing, China, July 28, 2006.
Wishart DS. "Metabolomics in Canada" presented at the Genome Canada Proteomics Workshop, Montreal, QC, July 12, 2006.
Li L. "Development of Mass Spectrometry for Metabolomics", lecture presented at MDS Sciex, Toronto, ON, July 11, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the International Water Research Workshop, Edmonton, AB, July 7, 2006.
Wishart DS. "The Human Metabolome Project" presented at the 2nd Annual Metabolomics Society Meeting, Boston, MA, June 28, 2006.
Wishart DS. "MetaboLIMS: A general Laboratory Information Management System for Metabolomics" presented at the 2nd Annual Metabolomics Society Meeting, Boston, MA, June 28, 2006.
Li L. "Development of Mass Spectrometry for Proteomics and Metabolomics", lecture presented at the Canadian Society of Analytical Chemistry and Spectroscopy, Kelowna, BC, June 19, 2006.
MacInnis GD, Weljie AM, and Vogel HJ. "The Determination and Quantification of Metabolites Present in Human Urine Samples Using 13C{1H} NMR Spectroscopy", lecture presented at the 89th Canadian Chemistry Conference, Halifax, NS, May 27-31, 2006. [PDF]
Wishart DS. "A New Strategy for Disease Diagnosis" presented at the University of Alberta Alumni Association Meeting, Edmonton, AB, April 20, 2006.
Wishart DS. "NMR, Structural Genomics and Metabolomics - What's the Connection" presented at the 6th Annual Protein Structure Initiative Bottlenecks Workshop, Bethesda, MD, April 14, 2006.
Wishart DS. "The Human Metabolome Project" LMC Genome Canada Nutrigenomics Workshop, Roskilde, Denmark, March 17, 2006.
Wishart DS. "Protein Feature Identification" presented at the University of Calgary, Calgary, AB, March 14, 2006.
Wishart DS. "Integrative Bioinformatics and Cheminformatics" Stockholm Bioinformatics Centre, Stockholm, Sweden, Feb 24, 2006.
Wishart DS. "Functional Genomics and Bioinformatics" presented at the Karolinska Institute, Stockholm Sweden, Feb. 23, 2006.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, Clemson University, Clemson, SC, February 23, 2006.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, University of Georgia, Athens, GA, February 22, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Tissue Proteomics" Complex Carbohydrate Research Center, University of Georgia, Athens, GA, February 22, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Tissue Proteomics" Medical School, Emory University, Atlanta, GA, February 21, 2006.
Li L. "Enabling Mass Spectrometric Techniques for Proteomics Applications" Department of Chemistry, University of Minnesota, Minneapolis, MN, February 9, 2006.
Wishart DS. "The Human Metabolome Project" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005. [PowerPoint]
Vogel H. "Metabolomics and Metabolic Footprinting: From Arthritis to Smelly Carrots" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005.
Marrie T. "Community Acquired Pneumonia and Metabolomics" presented at the Metabolomics Symposium: Understanding the Human Metabolome, Edmonton, AB, Oct. 25, 2005.
Wishart DS. "The Bioinformatics of Small Molecules" presented at the Vancouver Bioinformatics User Group (VanBUG) Monthly Meeting, Vancouver, BC, Oct. 13, 2005. [PowerPoint]
Wishart DS. "Systems Biology in Bioscience and Medicine" presented at the DGKL (German Society of Clinical Laboratory Medicine) Annual Conference, Jena, Germany, Oct. 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project: Its Application to Disease Diagnosis and Monitoring" presented at the 3rd Annual GHI (Genomics and Health Initiative) Conference, Ottawa, ON, Sept. 2005. [PowerPoint]
Li L. "LC-MALDI MS for Proteomics Applications", Workshop on Standards and Metrology for Cancer Diagnostics, National Cancer Institute, Washington DC, August 18, 2005.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications", Beijing Genomics and Proteomics Institutes, Chinese Academy of Sciences, China, August 1, 2005.
Li L. "Enabling Separation and Mass Spectrometry Techniques for Proteomics Applications", DICP Symposium (VII) on Separation and Detection of Biomolecules, Dalian, China, July 28, 2005.
Li L. "Enabling Separation and Mass Spectrometry Techniques for Proteomics Applications", Shanghai Institute of Biochemistry and Cell Biology, Chinese Academy of Sciences, China, July 26, 2005.
Li L. "Development of New Mass Spectrometric Techniques for Proteomics Applications", Department of Chemistry, Zhejiang University, Hangzhou, China, July 25, 2005.
Wishart DS. "Metabolomics: The Basics" presented at the 8th International Banff Symposium on Organ Transplantation, Edmonton, AB, July 2005. [PowerPoint]
Querengesser L, Wishart DS. "The Human Metabolome Project and its Impact on Human Disease" presented at the 1st Annual Meeting of the Metabolomics Society, Tsuruoka City, Japan, June 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project" presented at the PolyomX Research Seminar Series, Edmonton, AB, June 2005. [PowerPoint]
Wishart DS. "The Human Metabolome Project and its Impact on Human Disease". Keynote speaker at the 2005 AGM and Garrod Symposium for the Application of Technologies for the Study of Inborn Errors of Metabolism, Ottawa, ON, May 2005. [PowerPoint]
Sykes BD (organizer), Keystone Symposia Frontiers of NMR in Molecular Biology IX, Banff, Alberta, Feb. 2005, including workshop: "New Methods for Metabonomics and Drug Discovery".
Wishart DS. ABRF 2005 Workshop Presentation, "Mass spectrometric identification using Mascot", Feb. 2005.
Wishart DS. "NMR & Metabolomics: The Possibilities and the Limitations" presented at the NRC-GHI workshop on Metabolomics, Ottawa, ON, Dec. 2004. [PowerPoint]
Wishart DS. "SimCell: A Novel Computational Approach to Cellular Simulation" presented at the University of Toronto, Toronto, ON, Dec. 2004. [PowerPoint]
Wishart DS. "Project CyberCell" presented at Computational Cell Biology, MITRE Inc., McLean, Virginia, USA, Sep. 2004. [PowerPoint]
Wishart DS. "Bioinformatics: Impact on Health and Drug Development" presented at the 7th International Society for the Study of Xenobiotics (ISSX) conference, Vancouver, BC, Aug. 31, 2004. [PowerPoint]
Wishart DS. "An Integrative Approach to Modelling E. coli" presented at the Symposium on Integrative Bioinformatics - Aspects of the Virtual Cell, Dagstuhl, Germany, July 4-9, 2004. [PowerPoint]
Wishart DS. "Cellular Simulation Using Cellular Automata" presented at the Dagstuhl Seminar 04281 Integrative Bioinformatics - Aspects of the Virtual Cell Biological Simulation Workshop, Schloss Dagstuhl, Germany, July 4-9, 2004.
