Predicting Critical Micelle Concentration Values of Non-Ionic Surfactants by Using Artificial Neural Networks

Critical Micelle Concentration is a fundamental property on studying behaviour of surfactants. In general terms it depends on temperature, pressure and on the existence and concentration of other surface-active substances and electrolytes. In this work it is presented a model based on Artificial Neural Networks to obtain predictive values of Critical Micelle Concentration (CMC) of some non-ionic surfactants. ANN model works using topological descriptors of the molecules involved together with already known CMC values and provides predictive values for new cases. It is proposed a specific architecture for ANN consisting of an input layer with seven neurons, one intermediate layer with fourteen neurons and one neuron in the output layer. This ANN model seems to be a good method for forecast CMC.