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Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization.
Vladimir Kondratyev
Marian Dryzhakov
Timur Gimadiev
Dmitriy Slutskiy
Published in:
J. Cheminformatics (2023)
Keyphrases
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junction tree
generative model
message passing
bayesian networks
influence diagrams
image segmentation
belief networks
decision making
optical flow
higher order
graphical models
probabilistic inference
probabilistic graphical models