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MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.

Morgan C. ThomasNoel M. O'BoyleAndreas BenderChris de Graaf
Published in: J. Cheminformatics (2024)
Keyphrases
  • generative model
  • probabilistic model
  • drug design
  • prior knowledge
  • generative and discriminative models
  • em algorithm
  • discriminative learning
  • discriminative models
  • decision trees
  • conditional probabilities