Subgraphs of reduced chemical graphs as screens for substructure searching of specific chemical structures.
Janey K. CringeanMichael F. LynchPublished in: J. Inf. Sci. (1989)
Keyphrases
- chemical structures
- chemical compounds
- graph data
- graph databases
- graph mining
- similarity searching
- virtual screening
- frequent subgraph mining
- combining multiple clusterings
- similarity search
- subgraph isomorphism
- frequent subgraphs
- structured data
- relational data
- huge number
- graph patterns
- regular expressions
- graph matching
- graph kernels
- pattern mining
- data mining
- graph structure
- xml documents