SuperToxic: a comprehensive database of toxic compounds

被引：60

作者：

Schmidt, Ulrike ^{[1
]}

Struck, Swantje ^{[1
]}

Gruening, Bjoern ^{[1
]}

Hossbach, Julia ^{[1
]}

Jaeger, Ines S. ^{[1
,2
]}

Parol, Roza ^{[1
]}

Lindequist, Ulrike ^{[3
]}

Teuscher, Eberhard ^{[3
]}

Preissner, Robert ^{[1
]}

机构：

[1] Charit Univ Med Berlin, Inst Mol Biol & Bioinformat, Struct Bioinformat Grp, D-14195 Berlin, Germany

[2] Charit Univ Med Berlin, Dept Cardiol & Angiol, D-10117 Berlin, Germany

[3] Univ Greifswald, Inst Pharm, D-17489 Greifswald, Germany

来源：

NUCLEIC ACIDS RESEARCH | 2009年 / 37卷

关键词：

D O I：

10.1093/nar/gkn850

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：D295 / D299

页数：5

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