Sharif Digital Repository

The critical micelle concentration (CMC) of a set of 58 alkylsulfates, alkylsulfonates, alkyltrimethyl ammonium and alkylpyridinium salts were predicted using an artificial neural network (ANN). The multiple linear regression (MLR) technique was used to select the important descriptors that act as inputs for artificial neural network. These descriptors are Balaban index, heat of formation, maximum distance between the atoms in the molecule, Randic index and volume of the molecule. Designed artificial neural network is a fully connected back-propagation network that has a 5-5-1 architecture. The results obtained using neural network were compared with those obtained using MLR technique....