Based on the methods of multivariate data processing of the data records fo
r complicated chemical reaction systems, computer software named 'process a
nalyzer' and 'materials research advisor' has been built. The methods used
include some new methods of pattern recognition, such as back-mapping metho
ds, local-structure view and data transformation methods. These new computa
tional techniques have been widely used in the chemical, petrochemical and
metallurgical industries for industrial optimization and materials design w
ith good results. (C) 1999 Elsevier Science B.V. All rights reserved.