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Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence.

Tobias HarrenHans MatterGerhard HesslerMatthias RareyChristoph Grebner
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • data sets
  • real world
  • drug design
  • artificial intelligence
  • quantitative structure activity
  • drug discovery
  • data mining
  • protein protein interactions
  • databases
  • high precision
  • early stage