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Single-Step Retrosynthesis Prediction Based on the Identification of Potential Disconnection Sites Using Molecular Substructure Fingerprints.

Haris HasicTakashi Ishida
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • single step
  • multi step
  • prediction accuracy
  • website
  • molecular structures
  • drug design
  • neural network
  • prediction error
  • three dimensional
  • partial order
  • protein structure prediction
  • fingerprint verification