Journal of Cheminformatics

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Collaborative development of predictive toxicology applications

Barry Hardy*, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Joerg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry Druzhilovsky, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel and Sylvia Escher

Journal of Cheminformatics 2010, 2:7 doi:10.1186/1758-2946-2-7

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BioMed Central: 4 citations

Proceedings   Open Access

OpenTox predictive toxicology framework: toxicological ontology and semantic media wiki-based OpenToxipedia

Olga Tcheremenskaia, Romualdo Benigni, Ivelina Nikolova, Nina Jeliazkova, Sylvia E Escher, Monika Batke, Thomas Baier, Vladimir Poroikov, Alexey Lagunin, Micha Rautenberg, Barry Hardy Journal of Biomedical Semantics 2012, 3(Suppl 1):S7 (24 April 2012)

Software   Open Access Highly Accessed

CheS-Mapper - Chemical Space Mapping and Visualization in 3D

Martin Gütlein, Andreas Karwath, Stefan Kramer Journal of Cheminformatics 2012, 4:7 (17 March 2012)

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

Short Report   Open Access Highly Accessed

Computational toxicology using the OpenTox application programming interface and Bioclipse

Egon L Willighagen, Nina Jeliazkova, Barry Hardy, Roland C Grafström, Ola Spjuth BMC Research Notes 2011, 4:487 (10 November 2011)

Review   Open Access Highly Accessed

Data governance in predictive toxicology: A review

Xin Fu, Anna Wojak, Daniel Neagu, Mick Ridley, Kim Travis Journal of Cheminformatics 2011, 3:24 (13 July 2011)