Molecular mechanics and semi-empirical quantum RM1 methods were used to refine,optimize the geometry of 31 DAPY（diarylpyrimidine） derivatives and then extracted physicochemical properties parameters, molecular parameters,geometric parmeter from the geometric model along with combined indicator parameter to established the QSAR model for diarylpyrimidines against HIV-1 reverse tran- scriptase wild-type. Based on the multiple linear regression analysis, sorts of descriptors was invested and finally selected the dihedral （0）,molecular volume （...
