Journal of Cheminformatics

Editors-in-Chief

Christoph Steinbeck, European Bioinformatics Institute
David J Wild, Indiana University

Editorial Board | Instructions for authors | FAQ

Articles

There has been an error retrieving the data. Please try again.

Software

JSME: a free molecule editor in JavaScript

Bienfait B and Ertl P Journal of Cheminformatics 2013, 5:24 (21 May 2013)
Methodology

The ChEMBL database as linked open data

Willighagen EL, Waagmeester A, Spjuth O, Ansell P, Williams AJ, Tkachenko V, Hastings J, Chen B et al. Journal of Cheminformatics 2013, 5:23 (8 May 2013)
Research article

In-silico design of computational nucleic acids for molecular information processing

Ramlan EI and Zauner KP Journal of Cheminformatics 2013, 5:22 (7 May 2013)
Research article

A tandem regression-outlier analysis of a ligand cellular system for key structural modifications around ligand binding

Lin YT Journal of Cheminformatics 2013, 5:21 (30 April 2013)
Software

Extracting and connecting chemical structures from text sources using chemicalize.org

Southan C and Stracz A Journal of Cheminformatics 2013, 5:20 (23 April 2013)
Research article

Druggable chemical space and enumerative combinatorics

Yu MJ Journal of Cheminformatics 2013, 5:19 (18 April 2013)
Research article

Predicting pKa values from EEM atomic charges

Svobodová Va¿eková R, Geidl S, Ionescu CM, Sk¿ehota O, Bouchal T, Sehnal D, Abagyan R and Ko¿a J Journal of Cheminformatics 2013, 5:18 (10 April 2013)
Research article

The influence of the inactives subset generation on the performance of machine learning methods

Smusz S, Kurczab R and Bojarski AJ Journal of Cheminformatics 2013, 5:17 (5 April 2013)
View more articles

Advertisement

Aims & scope

Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.

Article collections

The IUPAC International Chemical Identifier (InChI) and its influence on the domain of chemical information
Edited by: Dr Antony Williams
Published: 13 December 2012
Last updated: 13 March 2013

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.