Verhaar scheme for predicting toxicity mode of action

Available since ToxTree 1.12

Developed by IdeaConsult Ltd., (Sofia, Bulgaria) for CEFIC LRI AMBIT project

Screenshots: Main screen , Decision tree

Reference

Verhaar, 1992
Verhaar HJM, van Leeuwen CJ and Hermens JLM (1992) Classifying environmental pollutants. 1. Structure-activity relationships for prediction of aquatic toxicity. Chemosphere 25, 471-491.
Verhaar, 2000
Verhaar HJM, Solbe J, Speksnijder J, van Leeuwen CJ and Hermens JLM (2000) Classifying environmental pollutants: Part 3. External validation of the classification system. Chemosphere 40, 875-883

For developers

  • Source

source code

  • Maven artifact

    Artifact

    <dependency>
      <groupId>toxtree</groupId>
      <artifactId>toxtree-verhaar</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.