Benigni/ Bossa rulebase (for mutagenicity and cancerogenicity)

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 1.3.0

The structure alerts have been updated since ToxTree 2.6.0 according to Benigni 2013.

Developed by IdeaConsult Ltd. Sofia, Bulgaria and Istituto Superiore di Sanita for the EC Joint Research Centre, Computational Toxicology

Screenshots: Main screen , Decision tree

References

• Benigni R., 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 R., 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, 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

For developers

• Source

• Maven artifact

<dependency>
  <groupId>toxtree</groupId>
  <artifactId>toxtree-mutant</artifactId>
  <version>3.1.0</version>
</dependency>

• Repository

<repository>
        <id>ambit-releases</id>
        <url>https://nexus.ideaconsult.net/content/repositories/releases</url>
   </repository>

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