| Abstract
| - The problem of finding all nonisomorphic subgraphs of a given graph (all distinct substructures of a givenmolecular structure) is discussed. A computer program is introduced that first generates all connectedsubgraphs and then uses a combination of well-discriminating graph invariants to eliminate duplicates. Theprogram is broadly applicable, in particular for molecular graphs which may or may not contain unsaturationor heteroatoms. The number of distinct substructures (Ns), proposed earlier as a measure of a compound'scomplexity which takes into account its symmetry, is thus automatically obtained. As was to be expected,due to the nature of the problem the computational effort increases exponentially with problem size, whencein most cases complexity measures other than Ns are to be preferred.
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