FALDI-based criterion for and the origin of an electron density bridge with an associated (3, -1) critical point on Bader's molecular graph.
Jurgens Hendrik de LangeDaniel M. E. van NiekerkIgnacy CukrowskiPublished in: J. Comput. Chem. (2018)
Keyphrases
- critical points
- vector field
- deep structure
- graph structure
- random walk
- graph theory
- scale space
- connected components
- structured data
- graph theoretic
- graph model
- bipartite graph
- neural network
- three dimensional
- graph matching
- graph based algorithm
- protein function prediction
- graph mining
- image processing
- graph partitioning
- graph representation
- np complete
- molecular dynamics
- feature selection