in this work, quantitative structure-property relationship (qspr) approaches were used to predict the redox potential of 42 phenolic antioxidants. the structures of all compounds optimized by the am1 semi-empirical method and then a large number of molecular descriptors were calculated for each compound in the data set. subsequently, stepwise multilinear regression was applied to select the mos...

in this work some quantitative structure activity relationship models were developed for prediction of three bioenvironmental parameters of 28 volatile organic compounds, which are used in assessing the behavior of pollutants in soil. these parameters are; half-life, non dimensional effective degradation rate constant and effective péclet number in two type of soil. the most effective descripto...

the use of quantitative structure–activity relationships, since its advent, has becomeincreasingly helpful in understanding many aspects of biochemical interactions in drug research.this approach was utilized to explain the relationship of structure with biological activity ofantibacterial. for the development of new fungicides against, the quantitative structural–activityrelationship (qsar) an...

in the present study, quantitative relationships between molecular structure and anti-tubercular activity of some 5-methyl/trifluoromethoxy-1 h -indole-2,3-dione-3-thiosemicarbazone derivatives were discovered. the detailed application of an efficient linear method and principal component regression (pcr) for the evaluation of quantitative structure activity relationships of the studied compound...

A migration matrix model is used to investigate the behavior of neutral polygenic characters in subdivided populations. It is shown that gametic disequilibrium has a large effect on the variance among groups but none at all on its expectation. The variance of among-group variance is substantial and does not depend on the number of loci contributing to variance in the character. It is just as la...