SMILES-based deep generative scaffold decorator for de-novo...

SMILES-based deep generative scaffold decorator for de-novo drug design

Arús-Pous, Josep, Patronov, Atanas, Bjerrum, Esben Jannik, Tyrchan, Christian, Reymond, Jean-Louis, Chen, Hongming, Engkvist, Ola
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Volume:
12
Journal:
Journal of Cheminformatics
DOI:
10.1186/s13321-020-00441-8
Date:
December, 2020
File:
PDF, 2.31 MB
2020
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