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PharmRF: A machine-learning scoring function to identify the best protein-ligand complexes for structure-based pharmacophore screening with high enrichments.

Sivakumar Prasanth KumarNandan Y. DixitChirag N. PatelRakesh M. RawalHimanshu A. Pandya
Published in: J. Comput. Chem. (2022)
Keyphrases
  • drug discovery
  • virtual screening
  • scoring function
  • machine learning
  • data mining
  • drug design
  • binding sites
  • scientific data
  • reinforcement learning
  • systems biology
  • machine learning algorithms
  • scoring functions