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Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening.

Zhonglin CaoSimone SciabolaYe Wang
Published in: CoRR (2023)
Keyphrases
  • active learning
  • drug discovery
  • virtual screening
  • real world
  • chemical structures
  • machine learning
  • learning process
  • semi supervised
  • relevance feedback
  • supervised learning
  • reverse engineering