Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization.

Autor: Kondratyev, Vladimir1,2 (AUTHOR), Dryzhakov, Marian1 (AUTHOR), Gimadiev, Timur3,4,5 (AUTHOR) timur.gimadiev@gmail.com, Slutskiy, Dmitriy1 (AUTHOR) dmitriy.slutskiy@engie.com
Zdroj: Journal of Cheminformatics. 2/2/2023, Vol. 15 Issue 1, p1-12. 12p.
Databáze: Academic Search Ultimate
Nepřihlášeným uživatelům se plný text nezobrazuje