Structural alerts associated with covalent protein binding.

Available since ToxTree 2.5.4

Developed by by IdeaConsult Ltd., (Sofia, Bulgaria). SMARTS alerts provided by Steve Enoch and Mark Cronin.

Screenshots: Main screen , Decision tree

Reference

Enoch, 2010
S. J. Enoch, C. M. Ellison, T. W. Schultz & M. T. D. Cronin, A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity,Critical Reviews in Toxicology, 2011, 1-20 doi:10.3109/10408444.2011.598141

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.