Exploring Topological Pharmacophore Graphs for Scaffold Hopping.

Hiroshi Nakano Tomoyuki Miyao Kimito Funatsu

Published in: J. Chem. Inf. Model. (2020)

Keyphrases

reeb graph
topological information
graph theoretic
topological features
graph matching
graph theory
directed graph
graph mining
graph construction
weighted graph
graph model
pattern recognition
connected components
series parallel
social network analysis
geometric objects
graphical models