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De Novo Generation of Molecular Structures Using Optimization To Select Graphs on a Given Lattice.
Robert P. Bywater
Thomas A. Poulsen
Peter Røgen
Poul G. Hjorth
Published in:
J. Chem. Inf. Model. (2004)
Keyphrases
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molecular structures
three dimensional
augmented reality
optimization problems
database
optimization algorithm
graph theory
human genome
databases
expert systems
multi objective
combinatorial optimization
graph matching
graph structure