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 JRC

Screenshots: Main screen , Decision tree

Reference

Gerner 2004
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
Hulzebos 2005
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
Walker 2005
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

  • Source

source code

  • Maven artifact

    Artifact

    <dependency>
      <groupId>toxtree</groupId>
      <artifactId>toxtree-sicret</artifactId>
      <version>2.6.13</version>
    </dependency>
    

    Repository

       <repository>
            <id>ambit-plovdiv-releases</id>
            <url>http://ambit.uni-plovdiv.bg:8083/nexus/content/repositories/releases</url>
        </repository>
    

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Version: 2.6.13. Last Published: 2015-03-22.

Reflow Maven skin by Andrius Velykis.