A database for storage and fast retrieval of structure data: a demonstration
Sujit Kumar, Srinath Srinivasa · 2005
This demonstration presents a database system called GRACEfor storageand retrieval of graphstructures. Structural queries are supported which retrieve graphs based on approximate subgraph isomorphism. Since subgraph isomorphism is NP-complete, GRACE performs retrieval based on inexact graph matching. The underlying model is of a concept called “Vectorization of Structure” that represents structural features of member graphs as vectors in one or more hypothetical spaces. Queries are mapped onto regions in these spaces. Query results is a ranked union of the set of all points lying in the query regions. The implementation displays a GRACE model implemented for storage and retrieval of molecular structures of organic chemicals.