Nucleic Acids Research Advance Access originally published online on November 12, 2008
Nucleic Acids Research 2009 37(Database issue):D295-D299; doi:10.1093/nar/gkn850
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Nucleic Acids Research, 2009, Vol. 37, Database issue D295-D299
© 2008 The Author(s)
This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.0/uk/) which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
This article appears in the following Nucleic Acids Research issue: Database issue [View the issue table of contents]
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SuperToxic: a comprehensive database of toxic compounds
1Structural Bioinformatics Group, Institute of Molecular Biology and Bioinformatics, Charité – University Medicine Berlin, Arnimallee 22, 14195 Berlin, 2Department of Cardiology and Angiology, Charité - University Medicine Berlin, Schumannstr. 20/21, 10117 Berlin and 3Institute of Pharmacy, Ernst-Moritz-Arndt-University Greifswald, Friedrich-Ludwig-Jahn-Strasse 17, 17489 Greifswald, Germany
*To whom correspondence should be addressed. Tel: +49 30 8445 1649; Fax: +49 30 8445 1551; Email: robert.preissner{at}charite.de
Received August 15, 2008. Revised September 23, 2008. Accepted October 16, 2008.
Within our everyday life, we are confronted with a variety of toxic substances of natural or artificial origin. Toxins are already used, e.g. in medicine, but there is still an increasing number of toxic compounds, representing a tremendous potential to extract new substances. Since predictive toxicology gains in importance, the careful and extensive investigation of known toxins is the basis to assess the properties of unknown substances. In order to achieve this aim, we have collected toxic compounds from literature and web sources in the database SuperToxic. The current version of this database compiles about 60 000 compounds and their structures. These molecules are classified according to their toxicity, based on more than 2 million measurements. The SuperToxic database provides a variety of search options like name, CASRN, molecular weight and measured values of toxicity. With the aid of implemented similarity searches, information about possible biological interactions can be gained. Furthermore, connections to the Protein Data Bank, UniProt and the KEGG database are available, to allow the identification of targets and those pathways, the searched compounds are involved in. This database is available online at: http://bioinformatics.charite.de/supertoxic.
The authors wish it to be known that, in their opinion, the first two authors should be regarded as joint First Authors
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