Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping.
Hiroshi NakanoTomoyuki MiyaoSwarit JasialKimito FunatsuPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- reeb graph
- gaussian graphical models
- topological information
- high dimensional
- graph theory
- graph matching
- graph mining
- sparse representation
- graph theoretic
- subgraph isomorphism
- topological features
- graph representation
- image segmentation
- directed graph
- frequency hopping
- dimensionality reduction
- directed acyclic
- sparse matrix
- spread spectrum
- graph structures
- topological properties
- spatial information