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...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 pluginframework to incorporate different approaches to the estimation. Platform independent (written in Java), with the use of The Chemistry Development Kit.
Anna is lightweight Java framework to build pipeline systems of any kind.
It will take care of recurrent needs such as dependency management, data serialisation and synchronization as well as parallelization of execution.
Chemical Evaluation Framework (CEF) is a molecular structure based software to assist in hazard assessment. Download requires Java 6 update 1. Source code is contained in jar files. Download contains GSH reactivity plugin.
ISYS (Integrated SYStem) is a Java-based pluginframework for loosely-coupled integration of independently developed components. It provides both service-oriented and event-based communication whose semantics may be contributed by component developers.
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