Identification of the Structural Requirements for Mutagenicity by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals I:  TA100 Model

Abstract excerpt

Traditional attempts to model genotoxicity data have been limited to congeneric data sets, primarily because the mechanism of action was ignored, and frequently, the chemicals required metabolism to the active species. In this exercise, the COmmon REactivity PAtterns (COREPA) approach was used to delineate the structural requirements for eliciting mutagenicity in terms of ranges of descriptors associated with...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Carcinogens and Genotoxicity Assessment
• Share to Cholinesterase and Neurodegenerative Diseases
• Share to Computational Drug Discovery Methods