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

Josep Arús-PousAtanas PatronovEsben Jannik BjerrumChristian TyrchanJean-Louis ReymondHongming ChenOla Engkvist
Published in: J. Cheminformatics (2020)
Keyphrases
  • drug design
  • protein structure prediction
  • protein protein interactions
  • drug discovery
  • quantitative structure activity
  • machine learning
  • high precision
  • social networks
  • high accuracy