QSAR models to predict mutagenicity of acrylates, methacrylates and α

Add time:08/06/2019    Source:sciencedirect.com

ObjectiveThe purpose of this study is to develop a quantitative structure–activity relationship (QSAR) model that can distinguish mutagenic from non-mutagenic species with α,β-unsaturated carbonyl moiety using two endpoints for this activity – Ames test and mammalian cell gene mutation test – and also to gather information about the molecular features that most contribute to eliminate the mutagenic effects of these chemicals.

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