In this 4D-QSAR study, we obtained pharmacophore identification and biological activity prediction for 50 propoxy methylphenyl oxadiazole derivatives by the Electron Conformational Genetic Algorithm approach. In light of the results given in the data obtained from quantum chemical calculations at HF/3-21 G level, the electron conformational matrices of congruity (ECMC) were built by EMRE softwa...

introduction: haemophilia a is the most common inherited x-linked recessive bleeding disorder. the severity of the resultant bleeding diathesis depends on the fviii levels associated with the mutation. analysis of carrier state can be made indirectly by dna linkage analysis or directly by identifying the mutation that leads to the disease. the aim of this study was to identification of the caus...

mndo semi-empirical scf mo calculations are used to study the pyramidal nitrogen atom inversion and configurational equilibria in the title compounds.