Verhaar scheme for predicting toxicity mode of action (modified). Reuses rules from Verhaar scheme module, and is partially updated, according to recommendations in [Enoch 2008]

The plugin will be distributed with the main ToxTree release starting with Toxtree 2.5.0

Developed by IdeaConsult Ltd., (Sofia, Bulgaria)

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
Enoch 2008
S.J. Enoch, M. Hewitt, M.T.D. Cronin, S. Azam, J.C. Madden, Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree, Chemosphere 73 (2008) 243-248

For developers

  • Source

source code

  • Maven artifact

    Artifact

    <dependency>
      <groupId>toxtree</groupId>
      <artifactId>toxtree-verhaar2</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.