A system for computer-assisted design of inorganic compounds based on computer training

Abstract

A system for computer-assisted design of inorganic compounds, with an integrated complex of databases for the properties of inorganic substances and materials, a subsystem for the analysis of data, based on computer training, a knowledge base, a predictions base, and a managing subsystem, has been developed. The methodology of integration of software products for data analysis, built upon different algorithms of computer training, has been devised. In many instances the employment of the developed system makes it possible to predict new inorganic compounds and estimate various properties of those without experimental synthesis.