. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 Activity vs Potency: Different QSAR Models . . . . . . . . . . . . . ....

The current status of quantitative structure-activity relationships (QSARs) in predicting toxicity is assessed. Widespread use of these methods to predict toxicity from chemical structure is possible, both by industry to develop new compounds, and also by regulatory agencies. The current use of QSARs is restricted by the lack of suitable toxicity data available for modelling, the suitability of...

Structure-property correlation uses the occurrence of specific structural features within chemical molecules in statistical analyses. The features are correlated with physicochemical properties or biological activities. Quantitative structure-activity relationships (QSAR) have been predominantly applied to the design of drugs (see Ariens, 1971) and to the understanding of drug disposition (Lien...

remanufacturing is an industrial process that makes used products reusable. remanufacturing is a way to establish a closed-loop supply chain. one of the important aspects in both reverse logistics and remanufacturing is pricing of returned and remanufactured products (called cores) that it has been noticed in this paper. in addition, in this paper the researchers have tried to present a mathema...

malaria is a parasitic disease with limited chemotherapy options. chemotherapy options are limited; moreover, drug resistant frequently occurs. the speed of drug development should be faster to overcome the emerging drug resistance. in the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...

Objective: The aim of this study was to estimate the cheminformatics and qualitative structure-activity relationship (QSAR) of cinnamaldehyde and eugenol. The effects of cinnamaldehyde and eugenol on the viability, doubling time and adipogenic or osteogenic differentiations of human adipose-derived mesenchymal stem cells (hASCs) were also investigated.  Materials and Methods: QSAR and toxicity ...