Canonical numbering and coding of reaction center graphs and reduced reaction center graphs abstracted from imaginary transition structures. A novel approach to the linear coding of reaction types.
Shinsaku FujitaPublished in: J. Chem. Inf. Comput. Sci. (1988)
Keyphrases
- coding scheme
- reaction diffusion
- coding method
- chemical reaction
- graph matching
- graph mining
- complex structures
- graph theoretic
- graph structures
- introduce a general framework
- chemical reactions
- graph representation
- graph clustering
- series parallel
- compressed bit stream
- neural network
- random graphs
- graph structure
- graph theory
- higher level