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Expanding Chemical Representation with k-mers and Fragment-based Fingerprints for Molecular Fingerprinting.

Sarwan AliPrakash ChourasiaMurray Patterson
Published in: CoRR (2024)
Keyphrases
  • three dimensional
  • drug discovery
  • data sets
  • information systems
  • multiscale
  • image representation
  • copyright protection
  • chemical reaction
  • chemical reactions
  • molecular level
  • virtual screening