Emerging Computational Methods for Predicting Chemically Induced Mutagenicity

摘要: Abstract Assessment and characterization of toxicological properties chemicals, active pharmaceutical ingredients, drugs are essential for the safety human health environment. Current regulatory framework assessment genotoxic impurities recommends combining genotoxicity/carcinogenicity in vivo in vitro assays with computational prediction as an integrated manner. Development in silico tools genotoxicity is promising, application predictive methods constantly increasing. A large number reports have described importance aspect studying identifying various domains toxicity its endpoints. Various such quantitative structure–activity relationships (QSAR), virtual screening, molecular dynamics simulation, docking, etc. been used identification mutagens well mutagenic interactions DNA. This chapter presents current trend available information on diverse techniques applied their capability DNA modification.