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

Arus-Pous, J; Patronov, A; Bjerrum, EJ; Tyrchan, C; Reymond, JL; Chen, HM; Engkvist, O

Arus-Pous, J (corresponding author), AstraZeneca, Mol AI, Hit Discovery Discovery Sci, BioPharmaceut R&D, Gothenburg, Sweden.; Arus-Pous, J (corresponding author), Univ Bern, Dept Chem & Biochem, Freiestr 3, CH-3012 Bern, Switzerland.

JOURNAL OF CHEMINFORMATICS, 2020; 12 (1):

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