Two-parameter regression equations

The above QSAR method was used to solve concrete problems.Beside the extended Hiickel methods, other ones (CNDO/2, MINDO, MNDO, etc.) were also employed.Good QSAR equations have been obtained by using CNDO/2 methods to calculate electronic parameters. In particular, for a series of phenyltriazenes, using atomic charges and the energy of the lowest unoccupied molecular orbital E (LUMO) as electronic parameters, the following two-parameter regression equation for the antisarcoma activity was obtained ° ... 

The complete set of two-parameter regression equations utilizing all the orthogonal pairs of descriptors, obtained in step 1, were then found for the property studied. The Nc (<400—600) significant pairs with the highest MLR correlation coefficients were chosen for the next step. 

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