Sinha, Meetali published the artcileGenotoxicity QSAR (Geno-QSAR) models for the safety prioritization of specialty chemicals, Recommanded Product: Benzyl acetate, the main research area is genotoxicity quant structure activity relationship safety.
Toxicity profiling of specialty chems. is essential, since several studies have reported their role in acute/chronic health effects. It is voluminous to perform a battery of toxicity experiments on available specialty chems. In this study, we employed robust QSAR approaches to predict the carcinogenicity and mutagenicity potential for a dataset of 131 specialty chems. utilizing machine learning tools. Four predictive approaches were selected to benchmark the reliability and applicability of the suitable genotoxicity QSAR (Geno-QSAR) models each for carcinogenicity (CAESAR, ISS, ANTARES, and ISSCAN) and mutagenicity (CAESAR, SARpy, ISS, and KNN). Five-fold statistical evaluation was performed using an external dataset of more than 2000 compounds with their known genotoxicity potential. KNN/Read across and IRFMN/ANTARES resulted as the best model for mutagenicity and carcinogenicity, resp. Results obtained from the selected predictive models are narrowed down to the potentially safe compounds and are cross-validated with the exptl. details compiled through the literature mining. Geno-QSAR approaches demonstrated in this investigation have widespread applicability for safe compound prioritization and toxicity prediction of a large number of chems. in a lucid way.
Journal of the Indian Chemical Society published new progress about Carcinogenicity. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Recommanded Product: Benzyl acetate.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics