A decision tree for estimating carcinogenicity and mutagenicity by discriminant analysis and structural rules, based on published in the document [Benigni 2008];

Available since ToxTree 1.30.

The structure alerts have been updated since ToxTree 2.60, according to [Benigni 2013].

Developed by by IdeaConsult Ltd., (Sofia, Bulgaria) and Istituto Superiore di Sanita for JRC IHCP Computational Toxicology and Modelling

Screenshots: Main screen , Decision tree


Benigni 2007
R. Benigni, C. Bossa, T. Netzeva, A. Rodomonte, and I. Tsakovska (2007) Mechanistic QSAR of aromatic amines: new models for discriminating between mutagens and nonmutagens, and validation of models for carcinogens. Environ mol mutag 48:754-771
Benigni 2008
R. Benigni, C. Bossa, N. Jeliazkova, T. Netzeva, and A. Worth. The Benigni / Bossa rulebase for mutagenicity and carcinogenicity - a module of Toxtree (European Commission report EUR 23241)
Benigni 2013
Benigni, R., Bossa, C., & Tcheremenskaia, O. (2013). Nongenotoxic carcinogenicity of chemicals: mechanisms of action and early recognition through a new set of structural alerts. Chemical Reviews, 113(5), 2940�57. doi:10.1021/cr300206t

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Version: 3.0.2-SNAPSHOT. Last Published: 2017-09-27.