in this paper, the quantitative structure activity-relationship (qsar) of the ccr2b receptor inhibitors was scrutinized. firstly, the molecular descriptors were calculated using the dragon package. then, the stepwise multiple linear regressions (sw-mlr) and the genetic algorithm multiple linear regressions (ga-mlr) variable selection methods were subsequently employed to select and implement th...

ferulic acid (4-hydroxy-3-methoxycinnamic acid), an effective component of medical plant, is a phenolic acid with low toxicity that can be absorbed and easily metabolized in the human body. the solubility of ferulic acid (fa) is very low in aqueous solutions which can cause problem in preparation of pharmaceutical products, but it can easily be dissolved in oil/water interface of nano-emulsions...

a robust and reliable quantitative structure-property relationship (qspr) study was established to forecast the melting points (mps)  of a diverse and long set including 250 drug-like compounds. based on the calculated descriptors by dragon software package, to detect homogeneities and to split the whole dataset into training and test sets, a principal component analysis (pca) approach was used...

Accurate estimation of evaporation is important for design, planning and operation of water systems. In arid zones where water resources are scarce, the estimation of this loss becomes more interesting in the planning and management of irrigation practices. This paper investigates the ability of artificial neural networks (ANNs) technique to improve the accuracy of daily evaporation estimation....

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...

Wave overtopping at breakwaters is one of their essential hydraulic characteristics when determining the design crest level. This study concentrates on developing a new practical formula on predicting wave overtopping, by implementing two different statistical models, Multiple Linear Regression model (MLR) and Generalized Linear Regression model (GLM). The models consider dependency of overtopp...