Prediction on Inhibitory Activitv of Aminoauinolines on Malaria bv HMEDV / 重庆医科大学学报

ABSTRACT

Objective: Study the relationship between the activity and structural parameters of aminoquinolines. Methods: A new type of topological indices, called the hydrogen - association classified molecular electrongativity - distance vector ( H - MEDV) developed in our laboratory, has been used to describe the chemical structure of 40 aminoquinolines. Reasonable molecular modeling results were achieved by a multiple linear regression ( MLR). Results; For two sets of aminoquinolines, the correlation coefficient ( R) between the estimated and the observed activities were 0.920 and 0.910 respectively. Conclusion; Hie results suggest the estimation stability and predictive ability of the model based on the H - MEDV descriptors.