The present study aims to investigate about the quantitative structure-activity relationship
(QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular …

In chemical graph theory, several degree‐based topological indices are introduced and put
forward in the development of quantitative structure‐property relationships …

As continuation of our research work on the development and prediction of retention/release
property of odorant molecules in Water and pectin gels, in this research, on the one hand …

In order to initiate the process of determining how the molecular level receptor-odorant
interactions are related to odor perception, we used the SWISS-MODEL modeling server to …

In this study, we have established two-dimensional quantitative structure propriety
relationships (2DQSPR) model, for a group of 78 molecules based on pyrazine, these …

Abstract The Density Functional Theory (DFT) with Becke's three-parameter hybrid
functional using the LYP correlation functional (B3LYP/6–31G (d)), was employed in this …

ACD/ChemSketch, MarvinSketch and ChemOffice programs were used to calculate several
molecular descriptors of 138 volatile compounds (32 hydrocarbons, 29 ketones, 28 …

In this study, 29 volatile alkylated phenols were subjected to a quantitative structure
retention relationships (QSRR) studies; we have developed two-and three-dimensional …

Prediction of the biodegradability of organic pollutants is an ecologically advantageous for
estimating the environmental fate of chemicals. This study was aimed at developing models …

This study aims to develop quantitative structure-toxicity models to predict the toxicity of
phenol derivatives. For that purpose, thetoxicity data of a total of 43substituted phenols to …