Abstract:
In chemical informatics, the structure of
chemical compound can be represented as graph
with atoms as nodes and bonds as edges. Exact
structural graph matching (automorphism),
exact substructure graph matching (subgraph
isomorphism) and graph similarity searching are
important research areas of chemical
informatics. In this paper, we develop the system
for efficient exact graph matching and graph
similarity searching using the edge code. The
structural information of chemical graph is
generated as the edge code. To improve the
precision of exact graph matching, we use our
novel edge code index structure to find the
automorphic graph in the database. For
similarity searching, we utilize the fuzzy query
similarity graph matching based on the edge
code to improve the computational speed.
Finally, we conduct an extensive set of
experiments on chemical compound database to
demonstrate the efficiency of our approach for
efficient exact graph matching and similarity
searching.
