in this work quantitative structure activity relationship (qsar) methodology was applied for modeling and prediction of cellular response to polymers that have been designed for tissue engineering. after calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regressions (mlr) and artificial neural network (ann) methods. the root m...

This article reviews key contributions in the area of statistics as applied to the use of molecular marker technology and quantitative genetics in the search for genes affecting quantitative traits responsible for specific diseases and economically important agronomic traits. Since an exhaustive literature review is not possible, the limited scope of this work is to encourage further statistica...

the quantitative structure–activity relationship of a series of novel thiazoline derivatives with anticancer activity has been studied by using the density functional theory by b3lyp/ 6-31g. descriptors of quantum mechanics of 21 thiazoline derivatives with known activity were obtained. multiple linear regressions were employed to model the relationships between molecular descriptors and biolog...

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 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 global spreading of multidrug resistance has motivated the search for new antibiotic classes including different types of antimicrobial peptides (AMPs). Computational methods for predicting activity in terms of the minimal inhibitory concentration (MIC) of AMPs can facilitate "in silico" design and reduce the cost of synthesis and testing. We have used an original method for separating trai...