This is the Windows app named Toxtree: Toxic Hazard Estimation whose latest release can be downloaded as Toxtree-v3.1.0.1851.zip. It can be run online in the free hosting provider OnWorks for workstations.
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Toxtree: Toxic Hazard Estimation
DESCRIPTION
A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules:-Cramer rules (oral toxicity)
-Toxicity mode of action via Verhaar scheme
-Skin irritation and Eye irritation prediction
-Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction
-START biodegradation and persistence prediction
-Skin sensitisation reactivity domain
-Kroes TTC Decision tree
-SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction
-Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC)
-Structural Alerts for Functional Group Identification (ISSFUNC)
-Structural alerts associated with covalent protein binding and DNA binding.
- Ames mutagenicity
Toxtree provides a plugin framework to incorporate different approaches to the estimation. Platform independent (written in Java), with the use of The Chemistry Development Kit.
Audience
Healthcare Industry, Science/Research, Education, Developers, End Users/Desktop
User interface
Java Swing
Programming Language
Java
This is an application that can also be fetched from https://sourceforge.net/projects/toxtree/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
