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Using molecular embeddings in QSAR modeling: does it make a difference?

María Virginia SabandoIgnacio PonzoniEvangelos E. MiliosAxel J. Soto
Published in: Briefings Bioinform. (2022)
Keyphrases
  • drug discovery
  • machine learning
  • case study
  • three dimensional
  • drug design
  • real world
  • knowledge base
  • low dimensional