Computerized Analysis of Chemical Reaction Equations with Correction of Stoichiometry
A computer programme (SYNKL, synthonclassifier) was developed, which recognizes and separates synthon equations from reaction equations. The algorithm of the programme is based on an extensive silimarity proof and overlay of the most similar partial structures to encircel the synthon substructures. The programme is able to discern synthon substructures from nonstoichiometric appendants and to correct the stoichiometric differences in many cases.