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.
