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Correct Bond Order Assignment in a Molecular Framework Using Integer Linear Programming with Application to Molecules Where Only Non-Hydrogen Atom Coordinates Are Available.
Matheus Froeyen
Piet Herdewijn
Published in:
J. Chem. Inf. Model. (2005)
Keyphrases
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integer linear programming
reinforcement learning
bayesian networks
search algorithm
heuristic search
column generation