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A Graph-theoretic Method to Identify Candidate Mechanisms for Deriving the Rate Law of a Catalytic Reaction.
L. T. Fan
Botond Bertók
Ferenc Friedler
Published in:
Comput. Chem. (2002)
Keyphrases
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graph theoretic
detection method
synthetic data
preprocessing
computational cost
high precision
objective function
significant improvement
data sets
cost function
segmentation algorithm
combinatorial optimization
statistical methods