Editors-in-Chief
- Christoph Steinbeck, European Bioinformatics Institute
- David J Wild, Indiana University
Articles
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Book report
Journal of Cheminformatics 2013, 5:29 (3 June 2013)Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov
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Database
Journal of Cheminformatics 2013, 5:28 (31 May 2013)HIM -herbal ingredientsin-vivo metabolism database -
Research article
Journal of Cheminformatics 2013, 5:27 (30 May 2013)Defining a novel
k -nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions -
Research article
Journal of Cheminformatics 2013, 5:26 (30 May 2013)Open-source platform to benchmark fingerprints for ligand-based virtual screening
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Research article
Journal of Cheminformatics 2013, 5:25 (24 May 2013)From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language
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Software
Journal of Cheminformatics 2013, 5:24 (21 May 2013)JSME: a free molecule editor in JavaScript
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Methodology
Journal of Cheminformatics 2013, 5:23 (8 May 2013)The ChEMBL database as linked open data
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Research article
Journal of Cheminformatics 2013, 5:22 (7 May 2013)In-silico design of computational nucleic acids for molecular information processing
- View more articles
Aims & scope
Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.
Editors' profiles
Christoph Steinbeck
Head of Chemoinformatics and Metabolism at the European Bioinformatics Institute in Hinxton, Cambridge, UK
The Steinbeck group research focuses on metabolism, metabolomics, natural products and cheminformatics and bioinformatics applications and algorithms.
His group develops and contributes to the development of leading open source software and open chemistry databases, including: the Chemistry Development Kit (CDK); Bioclipse; OrChem; CDK-Taverna; ChEBI; IntEnz and Rhea.
David Wild
Assistant Professor of Informatics and Computing at Indiana University School of Informatics, USA, leading the Cheminformatics & Chemogenomics Research Group.
Research focus is on the development of algorithms and tools for large scale integrative data mining of drug discovery, chemical and biological data in the emerging fields of chemogenomics and systems chemical biology.
Tools and algorithms created in his labs include: Chem2Bio2RDF; ChemBioSpace Association Search; WENDI; ChemoHub; PlotViz; ChemViz; PubChemSR; ICEP; and ChemBioGrid.
Latest supplements
Volume 5 Suppl 1 (22 March 2013)
8th German Conference on Chemoinformatics: 26 CIC-Workshop
Meeting abstracts
Goslar, Germany. 11-13 November 2012
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