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...

Two regression methods can be interpreted as based on Gini's mean difference (GMD). One relies on a weighted average of slopes defined between adjacent observations and the other is based on minimization of the GMD of the errors. The properties of the former approach are investigated in a multiple regression framework. These estimators have representations that resemble the OLS estimators, and ...

quantitative structure-activity relationship (qsar) models were employed for prediction the activity of p2x7 receptor antagonists. a data set consisted of 50 purine derivatives was utilized in the model construction where 40 and 10 of these compounds were in the training and test sets respectively. a suitable group of calculated molecular descriptors was selected by employing stepwise multiple ...