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Convolutional neural network based on SMILES representation of compounds for detecting chemical motif.

Maya HiroharaYutaka SaitoYuki KodaKengo SatoYasubumi Sakakibara
Published in: BMC Bioinform. (2018)
Keyphrases
  • drug discovery
  • neural network
  • chemical compounds
  • real time
  • data sets
  • image representation
  • power system
  • experimental data
  • feature representation
  • motif discovery
  • molecular structure