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...