Abstract: In this paper, the comparison of orthogonal descriptors and Leaps and Bounds regression analysis is performed. The results obtained by using orthogonal descriptors are better than that obtained by using Leaps and Bounds regression for the data set of nitrobenzenes used in this study. Leaps and Bounds regression can be used effectively for selection of variables in quantitative structure-activity/property relationship(QSAR/QSPR) studies. Consequently, orthogonalisation of descriptors is also a good method for variable selection for studies on QSAR/QSPR.

Key words: Quantitative structure-activity/property relationship study, Variable selection, Orthogonal descriptor, Leaps and Bounds regression