Toxtree is a full-featured and flexible user-friendly open source application, which is able to estimate toxic hazard by applying a decision tree approach.

Toxtree could be applied to datasets from various compatible file types. User-defined molecular structures are also supported - they could be entered by SMILES, or by using the built-in 2D structure diagram editor.

The Toxtree application is suitable for a standalone PC and can run on any platform, supported by Java 1.6 or higher.

Toxtree has been designed with flexible capabilities for future extensions in mind (e.g. other classification schemes that could be developed at a future date). New decision trees with arbitrary rules can be built with the help of graphical user interface or by developing new plug-ins.

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Toxtree 3.1.0

Toxtree 2.6.13

Toxtree 2.6.6

Toxtree 2.6.0

All versions

Try Toxtree online

Plugins

Toxtree-3.1.0 is distributed with 18 plugins:

Revised Cramer Decision Tree NEW!

Cramer rules and Cramer rules with extensions

Verhaar scheme and Modified Verhaar scheme

Skin irritation prediction

Eye irritation prediction

START biodegradation and persistence

Benigni / Bossa rulebase for mutagenicity and carcinogenicity

In vitro mutagenicity (Ames test) alerts by ISS

Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC)

Structural Alerts for Functional Group Identification (ISSFUNC)

Structure Alerts for identification of Michael Acceptors

Structure Alerts for skin sensitisation reactivity domains

DNA binding alerts

Protein binding alerts

Kroes TTC Decision tree

SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction

Acknowledgements

Toxtree was commissioned by JRC Computational Toxicology and Modelling and developed by Ideaconsult Ltd..

Plugins have been and are currently being developed by several different organisations.

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