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Deep learning-assisted pipeline for Virtual Screening of ligand compound databases: Application on inhibiting the entry of SARS-CoV-2 into human cells.

Stelios K. MylonasApostolos AxenopoulosSotiris KatsamakasIoannis GkekasKostas StamatopoulosSpyros PetrakisPetros Daras
Published in: BIBE (2020)
Keyphrases
  • deep learning
  • databases
  • virtual screening
  • chemical structures
  • drug discovery
  • machine learning
  • similarity searching
  • data sets
  • metadata
  • database systems
  • high throughput