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Molecular Fingerprints for Robust and Efficient ML-Driven Molecular Generation.

Ruslan N. TazhigulovJoshua SchillerJacob OppenheimMax Winston
Published in: CoRR (2022)
Keyphrases
  • computationally efficient
  • dna computing
  • database
  • maximum likelihood
  • molecular structure
  • real time
  • three dimensional
  • cost effective
  • computationally expensive
  • highly efficient
  • neural network
  • drug discovery