Editors-in-Chief
- Christoph Steinbeck, European Bioinformatics Institute
- David Wild, Indiana University
Articles
-
Journal of Cheminformatics 2012, 4:7Chemical Space Mapping and Visualization in 3D
Analyzing chemical datasets is an important task for understanding structure-property relationships. Visualization tools can help to better comprehend the correlations, and in this paper, an open-source tool for inspecting small molecule datasets is presented
-
Journal of Cheminformatics 2012, 4:3A chemical spreadsheet in Excel
A lightweight open source chemical spreadsheet has been developed that runs within Microsoft Excel and can be used on sheets containing hundreds of thousands of compounds without compromising normal performance
-
Journal of Cheminformatics 2012, 4:2Predicting the mechanism of phospholipidosis
An in silico approach was used to predict targets for phospholipidosis, a lysosomal disorder characterized by accumulation of phospholipids in tissues. By predicting targets for a database of compounds, they can be ranked by their potential to cause phospholipidosis
-
Journal of Cheminformatics 2011, 3:54New developments on CDK-Taverna
The most up to date version of the CDK-Taverna project is described, which aims at building a free open-source cheminformatics pipelining solution through a combination of different open-source projects
-
Journal of Cheminformatics 2011, 3:52Automated annotation of chemical names
An automated chemical name annotation system has been developed to annotate small molecule names in scientific abstracts with the aim of reproducing MeSH term annotations on biomedical and chemical literature
- 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 4 Suppl 1 (1 May 2012)
7th German Conference on Chemoinformatics: 25 CIC-Workshop
Meeting abstracts
Goslar, Germany. 6-8 November 2011
Email updates
Receive periodic news and updates relating to this journal.