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Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test.

Itsuki MaedaShunsuke TamuraYoshihiro OguraTakayuki SerizawaTakashi ShimadaRyo KunimotoTomoyuki Miyao
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • neural network
  • test data
  • data sets
  • database
  • real time
  • machine learning
  • decision trees
  • case study
  • training set
  • pairwise
  • alternative approaches