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Using Domain-Specific Fingerprints Generated Through Neural Networks to Enhance Ligand-Based Virtual Screening.

Janosch MenkeOliver Koch
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • virtual screening
  • domain specific
  • neural network
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • binding sites
  • scoring function
  • similarity search