In the development of new potential drugs the risk estimate of health hazards is a main challenge. To face this challenge, 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 approx. 60,000 compounds with about 100,000 synonyms. These molecules are classified according to their toxicity based on more than 2,500,000 measurements.
The commercial availability is documented for about 5,000 toxic compounds.
The SuperToxic database provides a variety of search options like name, CAS number, molecular weight or measured values of toxicity.
The collection of this data together with the functionality enables the evaluation of the risks of newly designed compounds and indication of biological interactions with the aid of similarity searches. Furthermore, a connection to the KEGG database is available to allow the identification of those pathways the searched compounds are involved in.
Schmidt, U. ; Struck, S. et al. SuperToxic: a comprehensive database of toxic compounds.
Nucleic Acids Research 2008, doi:10.1093/nar/gkn850
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