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Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning.

Paula Torren-PeraireAlan Kai HassenSamuel GenhedenJonas VerhoevenDjork-Arne ClevertMike PreussIgor V. Tetko
Published in: CoRR (2023)
Keyphrases
  • single step
  • statistical models
  • probabilistic model
  • heuristic search
  • experimental data
  • data sets
  • neural network
  • model selection
  • parameter estimation
  • statistical model
  • domain independent