An online journal published by Chemistry Central
Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.
Editors-in-Chief: Christoph Steinbeck, European Bioinformatics Institute (EBI); David J. Wild, Indiana University
Latest articles
Research article
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
Journal of Cheminformatics 2010, 2:2 (11 March 2010)
[Abstract] [Provisional PDF]
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Review
Molecular structure input on the web
Peter Ertl
Journal of Cheminformatics 2010, 2:1 (2 February 2010)
[Abstract] [Full Text] [PDF] [1 comment]
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Research article
Interpretable correlation descriptors for quantitative structure-activity relationships
Benson M Spowage, Craig L Bruce, Jonathan D Hirst
Journal of Cheminformatics 2009, 1:22 (24 December 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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Research article
Virtual screening of bioassay data
Amanda C Schierz
Journal of Cheminformatics 2009, 1:21 (22 December 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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Software
The PubChem chemical structure sketcher
Wolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant
Journal of Cheminformatics 2009, 1:20 (17 December 2009)
[Abstract] [Full Text] [PDF]
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