On March 31, 2015, Liu, Yang-hua; Zhou, Zhi-xiang; Zhang, Xiao-long; Li, Han-dong published an article.Recommanded Product: 5709-67-1 The title of the article was Development of QSAR model for predicting mutagenicity of aromatic compounds. And the article contained the following:
Quant. structure-activity relationship (QSAR) model was developed for predicting the mutagenicity of aromatic compounds The log revertants data of S. typhimurium TA98 strain from Ames test have been collected. 225 Aromatic compounds were randomly divided into the training set with 186 mols. and test set with 39 mols. Multiple linear regression (MLR) anal. was used to select six descriptors from thousands of descriptors calculated by semi-empirical AM1 and E-dragon methods. The final QSAR model with six descriptors was internal and external validated. In addition, to validate the utility of our QSAR model for the chem. evaluation, three aromatic compounds were taken to test the predictive ability and reliability of the model exptl. The compounds selected for testing were not based on the predictions, thus spanning the range of predicted probabilities. The subsequently generated results of the Ames test were in good correspondence with the predictions and confirmed this approach as a useful means of predicting likely mutagenic risk of aromatic compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Recommanded Product: 5709-67-1
The Article related to mutagenicity aromatic compound qsar model, Toxicology: Methods (Including Analysis) and other aspects.Recommanded Product: 5709-67-1
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem