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Covalent inhibitor reactivity prediction by the electrophilicity index - in and out of scope.

Markus R. HermannAlexander PautschMarc A. GrundlAlexander WeberChristofer S. Tautermann
Published in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
  • prediction accuracy
  • human immunodeficiency virus
  • prediction model
  • index structure
  • database
  • genetic algorithm
  • long term
  • multi dimensional
  • prediction error
  • structural similarity