Constrained Generation of Molecular Graphs.

Reinhard Laue Thomas Grüner Markus Meringer Adalbert Kerber

Published in: Graphs and Discovery (2001)

Keyphrases

generation process
graph representation
three dimensional
graph model
graph databases
real time
structured objects
graph clustering
graph matching
weighted graph
spanning tree
virtual screening
drug discovery
graph theoretic
directed graph
search algorithm
search engine
data sets