REACTION

REACTION is an expert system for the generation, manipulation and analysis of molecular and reaction information. 

The goal of the system is to assist in the modeling of complex chemical processes such as combustion. REACTION enables both 'numeric' and 'symbolic' analysis of mechanisms. The major portion of the numeric analysis results from an interface to the symbolic methods involve graph theoretical and network analysis techniques.  The main use of this tool is to analyse and compare the chemistry within mechansisms of molecules of different structure.