Toxtree - Toxic Hazard Estimation by decision tree approach

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.

Download

• Toxtree 3.1.0

• Toxtree 2.6.13

• Toxtree 2.6.6

• Toxtree 2.6.0

• All versions

Try Toxtree online

• http://toxtree.sf.net/predict

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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