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Modeling the Mutagenic Potential of Primary Amines

pdf fileBeger RD; Slavov S; Slavova I; Mattes W; Barber CG; Vessey J; Patel ML;

This poster explores a 3D-SDAR concept for modeling the mutagenic potential of primary amines. Regardless of the control and elimination strategies, impurities are present in all drug formulations. Some of these impurities have the potential to induce permanent transmissible changes in DNA. The Ames assay using Salmonella typhimurium is an early screen for mutagenicity, but requires both time and a large amount of compound (~0.75-1g). Hence, under ICH M7 accurate computational prediction of the mutagenic potential of chemicals is an alternative to a full GLP Ames assay. 


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