QSAR Study of conductors polymers based on thiophene

A quantitative structure-activity relationship (QSAR) model was constructed to predict the electrical conductivity of 46 compounds of monothiophene derivative. In the present study where used to establish QSARs based on quantum mechanically derived molecular descriptors, hydrophobicity and steric effects. The structure-activity relationships were discussed by multiple linaire regression (MLR) r =0,91 and neural network (NN) r =0,95. The correlation coefficient obtained with MLR and NN is fairly good to evaluate a quantitative model. To test the performance of this model we have used the cross validation method (r =0,85).