Graph Theoretical Similarity Approach To Compare Molecular Electrostatic Potentials.
Ray M. MarínNestor F. AguirreEdgar E. DazaPublished in: J. Chem. Inf. Model. (2008)
Keyphrases
- graph theoretical
- graph theory
- similarity measure
- distance measure
- similarity metrics
- higher order
- database
- distance function
- semantic similarity
- high order
- three dimensional
- probabilistic model
- similarity function
- search algorithm
- potential functions
- similarity measurement
- structural similarity
- information retrieval
- neural network