SMARTCyp - Cytochrome P450-Mediated Drug Metabolism

A Toxtree plugin, predicting sites of metabolism and metabolites.

Available since ToxTree 2.1.0

Developed by Patrik Rydberg (SMARTCyp) and Ideaconsult Ltd. (Toxtree plugin, metabolite generation).

Screenshots: Main screen , Decision tree

Reference

Rydberg, 2010
Patrik Rydberg, David E. Gloriam, Jed Zaretzki, Curt Breneman, Lars Olsen, SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism, ACS Med. Chem. Lett., 2010, 1 (3), pp 96-100.
Rydberg, 2010
Patrik Rydberg, David Gloriam and Lars Olsen, The SMARTCyp cytochrome P450 metabolism prediction server, Bioinformatics, 2010, 26, 2988-2989

For developers

  • Source

SMARTCyp source code

SMARTCyp ToxTree module source code

  • Maven artifact

    Artifact

    <dependency>
  <groupId>toxtree</groupId>
  <artifactId>toxtree-smartcyp</artifactId>
  <version>2.5.8</version>
</dependency>

    Repository

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