Density functional theory transition-state modeling for the prediction of Ames mutagenicity in 1,4 Michael acceptors
(2019)
Journal Article
Townsend, P. A., & Grayson, M. N. (2019). Density functional theory transition-state modeling for the prediction of Ames mutagenicity in 1,4 Michael acceptors. Journal of Chemical Information and Modeling, 59(12), 5099-5103. https://doi.org/10.1021/acs.jcim.9b00966
Assessing the safety of new chemicals, without introducing the need for animal testing, is a task of great importance. The Ames test, a widely used bioassay to assess mutagenicity, can be an expensive, wasteful process with animal-derived reagents. E... Read More about Density functional theory transition-state modeling for the prediction of Ames mutagenicity in 1,4 Michael acceptors.