Toxtree – Toxtree Module: 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. Sofia, Bulgaria (Toxtree plugin, metabolite generation).

Screenshots: Main screen , Decision tree

References

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.
Patrik Rydberg, David Gloriam and Lars Olsen, The SMARTCyp cytochrome P450 metabolism prediction server, Bioinformatics, 2010, 26, 2988-2989

For developers

<dependency>
  <groupId>toxtree</groupId>
  <artifactId>toxtree-smartcyp</artifactId>
  <version>3.1.0</version>
</dependency>

Repository

<repository>
        <id>ambit-releases</id>
        <url>https://nexus.ideaconsult.net/content/repositories/releases</url>
   </repository>