David S. Wishart
Orcid: 0000-0002-3207-2434Affiliations:
- University of Alberta, Edmonton, Canada
According to our database1,
David S. Wishart
authored at least 109 papers
between 1994 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
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Online presence:
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on orcid.org
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on id.loc.gov
On csauthors.net:
Bibliography
2023
PlasMapper 3.0 - a web server for generating, editing, annotating and visualizing publication quality plasmid maps.
Nucleic Acids Res., July, 2023
Nucleic Acids Res., January, 2023
2022
BioTransformer 3.0 - a web server for accurately predicting metabolic transformation products.
Nucleic Acids Res., 2022
Nucleic Acids Res., 2022
2021
A deep generative model enables automated structure elucidation of novel psychoactive substances.
Nat. Mach. Intell., 2021
Nat. Mach. Intell., 2021
CyProduct: A Software Tool for Accurately Predicting the Byproducts of Human Cytochrome P450 Metabolism.
J. Chem. Inf. Model., 2021
J. Comput. Aided Mol. Des., 2021
2020
Nucleic Acids Res., 2020
Exposome-Explorer 2.0: an update incorporating candidate dietary biomarkers and dietary associations with cancer risk.
Nucleic Acids Res., 2020
FOBI: an ontology to represent food intake data and associate it with metabolomic data.
Database J. Biol. Databases Curation, 2020
2019
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification.
J. Cheminformatics, 2019
The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations.
J. Comput. Aided Mol. Des., 2019
Briefings Bioinform., 2019
2018
Nucleic Acids Res., 2018
Nucleic Acids Res., 2018
Nucleic Acids Res., 2018
CypReact: A Software Tool for in Silico Reactant Prediction for Human Cytochrome P450 Enzymes.
J. Chem. Inf. Model., 2018
2017
Nucleic Acids Res., 2017
Exposome-Explorer: a manually-curated database on biomarkers of exposure to dietary and environmental factors.
Nucleic Acids Res., 2017
2016
Nucleic Acids Res., 2016
Nucleic Acids Res., 2016
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy.
J. Cheminformatics, 2016
Proceedings of the IEEE International Symposium on Circuits and Systems, 2016
Simulations and design of microfabricated interdigitated electrodes for use in a gold nanoparticle enhanced biosensor.
Proceedings of the 38th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, 2016
Live demonstration: Portable impedance-based biosensor system for metabolomic sensing.
Proceedings of the IEEE Biomedical Circuits and Systems Conference, 2016
2015
Simulations of Interdigitated Electrode Interactions with Gold Nanoparticles for Impedance-Based Biosensing Applications.
Sensors, 2015
PolySearch2: a significantly improved text-mining system for discovering associations between human diseases, genes, drugs, metabolites, toxins and more.
Nucleic Acids Res., 2015
CSI 3.0: a web server for identifying secondary and super-secondary structure in proteins using NMR chemical shifts.
Nucleic Acids Res., 2015
Role of Water in Ligand Binding to Maltose-Binding Protein: Insight from a New Docking Protocol Based on the 3D-RISM-KH Molecular Theory of Solvation.
J. Chem. Inf. Model., 2015
Simulating electrical properties of interdigitated electrode designs for impedance-based biosensing applications.
Proceedings of the IEEE 28th Canadian Conference on Electrical and Computer Engineering, 2015
2014
IEEE Trans. Biomed. Circuits Syst., 2014
Guest Editorial - Special Issue on '-Omics' Based Companion Diagnostics for Personalized Medicine.
IEEE Trans. Biomed. Circuits Syst., 2014
pE-DB: a database of structural ensembles of intrinsically disordered and of unfolded proteins.
Nucleic Acids Res., 2014
Nucleic Acids Res., 2014
CFM-ID: a web server for annotation, spectrum prediction and metabolite identification from tandem mass spectra.
Nucleic Acids Res., 2014
2013
Nucleic Acids Res., 2013
Competitive Fragmentation Modeling of ESI-MS/MS spectra for metabolite identification.
CoRR, 2013
BMC Bioinform., 2013
Phenol-Explorer 3.0: a major update of the Phenol-Explorer database to incorporate data on the effects of food processing on polyphenol content.
Database J. Biol. Databases Curation, 2013
2012
Nucleic Acids Res., 2012
Nucleic Acids Res., 2012
Nucleic Acids Res., 2012
Development of Ecom<sub>50</sub> and Retention Index Models for Nontargeted Metabolomics: Identification of 1, 3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry.
J. Chem. Inf. Model., 2012
Phenol-Explorer 2.0: a major update of the Phenol-Explorer database integrating data on polyphenol metabolism and pharmacokinetics in humans and experimental animals.
Database J. Biol. Databases Curation, 2012
2011
Nucleic Acids Res., 2011
MetATT: a web-based metabolomics tool for analyzing time-series and two-factor datasets.
Bioinform., 2011
2010
MSEA: a web-based tool to identify biologically meaningful patterns in quantitative metabolomic data.
Nucleic Acids Res., 2010
Nucleic Acids Res., 2010
Bioinform., 2010
Database J. Biol. Databases Curation, 2010
2009
Nucleic Acids Res., 2009
Nucleic Acids Res., 2009
2008
Nucleic Acids Res., 2008
CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data.
Nucleic Acids Res., 2008
Nucleic Acids Res., 2008
PROTEUS2: a web server for comprehensive protein structure prediction and structure-based annotation.
Nucleic Acids Res., 2008
PolySearch: a web-based text mining system for extracting relationships between human diseases, genes, mutations, drugs and metabolites.
Nucleic Acids Res., 2008
MetaboMiner - semi-automated identification of metabolites from 2D NMR spectra of complex biofluids.
BMC Bioinform., 2008
2007
The RCI server: rapid and accurate calculation of protein flexibility using chemical shifts.
Nucleic Acids Res., 2007
Proceedings of the Biocomputing 2007, 2007
2006
DrugBank: a comprehensive resource for <i>in silico</i> drug discovery and exploration.
Nucleic Acids Res., 2006
Nucleic Acids Res., 2006
Improving the accuracy of protein secondary structure prediction using structural alignment.
BMC Bioinform., 2006
Proceedings of the Proceedings, 2006
2005
Nucleic Acids Res., 2005
Nucleic Acids Res., 2005
PA-GOSUB: a searchable database of model organism protein sequences with their predicted Gene Ontology molecular function and subcellular localization.
Nucleic Acids Res., 2005
Nucleic Acids Res., 2005
Pathway Analyst--Automated Metabolic Pathway Prediction.
Proceedings of the 2005 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2005
Proceedings of the Proceedings, 2005
2004
Proteome Analyst: custom predictions with explanations in a web-based tool for high-throughput proteome annotations.
Nucleic Acids Res., 2004
The CyberCell Database (CCDB): a comprehensive, self-updating, relational database to coordinate and facilitate in silico modeling of Escherichia coli.
Nucleic Acids Res., 2004
Nucleic Acids Res., 2004
Nucleic Acids Res., 2004
Silico Biol., 2004
GelScape: a web-based server for interactively annotating, manipulating, comparing and archiving 1D and 2D gel images.
Bioinform., 2004
Bioinform., 2004
2003
Nucleic Acids Res., 2003
2002
Proceedings of the Essentials of Genomics and Bioinformatics, 2002
2000
Prediction of genetic structure in eukaryotic DNA using reference point logistic regression and sequence alignment.
Bioinform., 2000
1997
Comput. Appl. Biosci., 1997
1994
Comput. Appl. Biosci., 1994