Response to the comment by Wolf Ihlenfeldt on the paper "Indexing molecules with chemical graph identifiers".
Elisabet Gregori-PuigjanéRut Garriga-SustJordi MestresPublished in: J. Comput. Chem. (2012)
Keyphrases
- chemical compounds
- query graph
- graph representation
- chemical reactions
- graph databases
- structured data
- graph theory
- graph theoretic
- random walk
- graph kernels
- content based retrieval
- graph model
- subgraph matching
- database
- graph patterns
- indexing scheme
- weighted graph
- information retrieval
- connected components
- bipartite graph
- indexing method
- drug discovery
- graph matching
- graph search
- subgraph isomorphism
- directed graph
- virtual screening
- reachability queries
- graph data
- indexing methods
- multimedia databases
- similarity searching
- indexing techniques
- bayesian networks
- link analysis