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Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries.

Hanyu GaoJean PauphiletThomas J. StrubleConnor W. ColeyKlavs F. Jensen
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • computer generated
  • direct optimization
  • learning to rank
  • multimedia
  • optimization methods
  • machine learning
  • information retrieval
  • genetic algorithm
  • learning algorithm
  • digital libraries