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Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration.

Thomas E. HadfieldFergus ImrieAndy MerrittKristian BirchallCharlotte M. Deane
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • generative model
  • prior knowledge
  • information retrieval
  • higher level
  • machine learning
  • similarity measure
  • representational power