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Site-specific graph neural network for predicting protonation energy of oxygenate molecules.
Romit Maulik
Rajeev Surendran Array
Prasanna Balaprakash
Published in:
CoRR (2020)
Keyphrases
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neural network
artificial neural networks
graph representation
graph structure
neural network model
website
domain specific
graph partitioning
graph theoretic
random walk
energy minimization
edge weights
fuzzy neural network
network model
graph theory
pattern recognition
genetic algorithm