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...

the present study is to study linear free energy relationships (lfers) for dechlorination ratesin cement/fe(ii) slurries of eight chlorinated hydrocarbons including carbon tetrachloride, chloroform produced from carbon tetrachloride, 1,1,1-trichloroethane, trichloroethylene produced from 1,1,2,2-tetrachloroethane, tetrachloroethylene, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride,...

Contour shape descriptors are among the important shape description methods. Fourier descriptors (FD) and curvature scale space descriptors (CSSD) are widely used as contour shape descriptors for image retrieval in the literature. In MPEG-7, CSSD has been proposed as one of the contour-based shape descriptors. However, no comprehensive comparison has been made between these two shape descriptor...

our study performed upon an extended series of 28 compounds of 1,2,4-triazole derivativesthat demonstrate substantial in vitro antimicrobial activities by serial plate dilution method,using quantitative structure-activity relationship (qsar) methods that imply analysis ofcorrelations and multiple linear regression (mlr); a significant collection of moleculardescriptors was used e.g., edge adjac...

The process of feature extraction is fundamental to object recognition process, The paper proposes techniques for computing boundary and region descriptors, which are efficient and work well even in the presence of noise. For boundary descriptors, shape is extracted through morphological algorithms and boundary of the object is traced, after they have been suitably binarized and noise has been ...

In this work the electrooxidation half-wave potentials of some Benzoxazines were predicted from their structural molecular descriptors by using quantitative structure-property relationship (QSAR) approaches. The dataset consist the half-wave potential of 40 benzoxazine derivatives which were obtained by DC-polarography. Descriptors which were selected by stepwise multiple selection procedure ar...

The antioxidant properties of coumarin derivatives using the 2,2ˈ -diphenyl-1- picrylhydrazyl (DPPH) radical scavenging assay were investigated by the application of Quantitative Structure Activity Relationship (QSAR) studies. The molecular structures were optimized and submitted for the generation of quantum chemical and molecular descriptors. Genetic Function Algorithm (GFA) was employed in m...