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Breadth-First Search Approach to Enumeration of Tree-like Chemical Compounds.
Yang Zhao
Morihiro Hayashida
Jira Jindalertudomdee
Hiroshi Nagamochi
Tatsuya Akutsu
Published in:
J. Bioinform. Comput. Biol. (2013)
Keyphrases
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breadth first search
chemical compounds
depth first search
drug discovery
graph databases
tree search
search algorithm
structural features
graph search
tree structure
external memory
graph data
index structure
graph kernels
search space
spanning tree
dynamic programming
databases