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Prioritizing Virtual Screening with Interpretable Interaction Fingerprints.

Alexandre V. FassioLaura ShubLuca PonzoniJessica McKinleyMatthew J. O'mearaRafaela Salgado FerreiraMichael J. KeiserRaquel Cardoso de Melo Minardi
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • virtual screening
  • chemical structures
  • drug discovery
  • similarity searching
  • data sets
  • data mining
  • high dimensional
  • similarity measure
  • web search
  • high throughput