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Toxic Hazard Estimation 2.5.1

Company: toxtree.sourceforge.net

Date Added: October 08, 2012 | Visits: 475

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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 prediction

-Eye irritation prediction

-Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction

-START biodegradation and persistence prediction

-Structure Alerts for identification of Michael Acceptors

-Structure Alerts for skin sensitisation

-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)

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.

Requirements: No special requirements

Release Date: October 08, 2012

Platforms: Windows, Mac, Linux

Users rating: 0/10

License: Freeware

Size: 55.38 MB

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