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Application of interpretable group-embedded graph neural networks for pure compound properties.
Adem R. N. Aouichaoui
Fan Fan
Jens Abildskov
Gürkan Sin
Published in:
Comput. Chem. Eng. (2023)
Keyphrases
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neural network
decision support
genetic algorithm
artificial neural networks
fuzzy logic
neural nets
semi supervised
self organizing maps
graph structure
weighted graph
graph representation