Toxtree – Toxtree Module: A decision tree for estimating skin irritation and corrosion potential

Estimates skin corrosion and irritatiion potential by physicochemical property ranges and structural rules

Available since ToxTree 1.12

Developed by IdeaConsult Ltd. Sofia, Bulgaria for the EC Joint Research Centre, Computational Toxicology

Screenshots: Main screen , Decision tree

References

Ingrid Gerner, Kerstin Schlegel, John D. Walker, and Etje Hulzebosc, Use of Physicochemical Property Limits to Develop Rules for Identifying Chemical Substances with no Skin Irritation or Corrosion Potential, QSAR Comb. Sci. 2004, 23, pp.726-733
Etje Hulzebos, John D. Walker, Ingrid Gerner, and Kerstin Schlegel, Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential, QSAR Comb. Sci. 2005, 24, pp.332-342
John D. Walker, Ingrid Gerner, Etje Hulzebos, Kerstin Schlegel, The Skin Irritation Corrosion Rules Estimation Tool (SICRET), QSAR Comb. Sci. 2005, 24, pp378-384.

For developers

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

Repository

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