Comment on the paper "indexing molecules with chemical graph Identifiers" by Elisabeth Gregori-Puigjané, Rut Garriga-Sust, and Jordi Mestres.
Wolf-Dietrich IhlenfeldtPublished in: J. Comput. Chem. (2012)
Keyphrases
- chemical compounds
- query graph
- graph data
- graph databases
- random walk
- information retrieval
- chemical reactions
- bipartite graph
- graph representation
- graph structure
- drug discovery
- graph model
- directed acyclic graph
- weighted graph
- graph theory
- indexing method
- dependency graph
- subgraph isomorphism
- graph search
- graph kernels
- database
- subgraph matching
- indexing methods
- structural features
- directed graph
- connected components
- structured data
- source code
- indexing scheme
- graph theoretic
- text retrieval
- graph based algorithm