Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs, 2. Molecules Containing Heteroatoms and QSAR Applications.
Ernesto EstradaPublished in: J. Chem. Inf. Comput. Sci. (1997)
Keyphrases
- adjacency matrix
- weighted graph
- laplacian matrix
- undirected graph
- drug discovery
- drug design
- normalized cut
- graph edit distance
- graph representation
- spectral methods
- graph matching
- graph partitioning
- graph model
- directed graph
- eigenvalues and eigenvectors
- graph clustering
- shortest path
- edge weights
- spanning tree
- edit distance
- approximation algorithms
- graph structure
- clustering method
- clustering algorithm
- directed acyclic graph
- matching algorithm
- worst case