Investigation of the Use of an Artificial Neural Network Method for the Prediction of Crystal Structures of Zeolites from XRD Data

Abstract

The possibility of using artificial neural network methods for the prediction of zeolite crystal structures, such as pore size and unit cell dimensions, from X-ray diffraction patterns was investigated. The Generalized Regression Neural Network method and X-ray diffraction data obtained from literature were utilized in these investigations. The predictions made by using this neural network method were, in general, more reliable than those performed by regression. The best predictions were achieved for the estimation of the pore size, while the neural network method improved significantly the very poor results obtained by regression for the unit cell dimensions.