Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach.

Available since ToxTree 2.1.0 (under name "Skin sensitisation alerts" and "Skin sensitisation alerts (M.Cronin)"). The name is changed to "Skin sensitisation reactivity domain" by P&G team suggestion in order to reflect the fact the alerts provide grouping into reactivity mode of action and do not predict skin sensitisation potential.

Developed by IdeaConsult Ltd., (Sofia, Bulgaria), with collaboration with and support from Procter and Gamble 2010

Screenshots: Main screen , Decision tree

Reference

Enoch, 2008
Enoch SJ, Madden JC, Cronin MT,Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach.,SAR QSAR Environ Res. 2008;19(5-6):555-78.

For developers

  • Source

source code

  • Maven artifact

    Artifact

    <dependency>
      <groupId>toxtree</groupId>
      <artifactId>toxtree-skinsensitisation</artifactId>
      <version>3.0.0</version>
    </dependency>
    

    Repository

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

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