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.

Toxtree Cramer rules module screenshot

ToxTree online

Find chemical compounds and apply Toxtree (and other methods) online!

ToxPredict (Several Toxtree modules and more)


The Toxtree application is suitable for a standalone PC and can run on any platform, supported by Java 1.5 or higher.

Modular plugin design

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. Toxtree was commissioned by JRC Computational Toxicology and Modelling and developed by Ideaconsult Ltd. (Sofia, Bulgaria). Plugins have been and are currently being developed by several different organisations.