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Generation of molecular graphs for QSAR studies: an approach based on acyclic fragment combinations.
Serge S. Tratch
O. A. Lomova
D. V. Sukhachev
Vladimir A. Palyulin
Nikolai S. Zefirov
Published in:
J. Chem. Inf. Comput. Sci. (1992)
Keyphrases
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drug discovery
drug design
np hard
graph matching
database
bounded treewidth
connected graphs