"Generative model based on junction tree variational autoencoder for HOMO ..."

Vladimir Kondratyev et al. (2023)

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DOI: 10.1186/S13321-023-00681-4

access: open

type: Journal Article

metadata version: 2023-02-07

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Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, Dmitriy Slutskiy:
Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization. J. Cheminformatics 15(1): 11 (2023)

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