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ArkDTA: attention regularization guided by non-covalent interactions for explainable drug-target binding affinity prediction.

Mogan GimJunseok ChoeSeungheun BaekJueon ParkChaeeun LeeMinjae JuSumin LeeJaewoo Kang
Published in: Bioinform. (2023)
Keyphrases
  • prediction accuracy
  • van der waals
  • prediction model
  • pairwise
  • regularization parameter
  • prediction algorithm
  • data sets
  • prior information
  • reproducing kernel hilbert space
  • major histocompatibility complex