Chemical similarity searching using a neural graph matcher.
Stefan KlingerJim AustinPublished in: ESANN (2005)
Keyphrases
- similarity searching
- chemical structures
- virtual screening
- chemical compounds
- similarity search
- neural network
- metric space
- multimedia databases
- graph databases
- search tools
- drug discovery
- graph mining
- structured data
- graph data
- graph kernels
- similarity queries
- social networks
- data structure
- similarity measure
- search engine
- databases