Login / Signup

On the difficulty of validating molecular generative models realistically: a case study on public and proprietary data.

Koichi HandaMorgan C. ThomasMichiharu KageyamaTakeshi IijimaAndreas Bender
Published in: J. Cheminformatics (2023)
Keyphrases
  • generative model
  • data sets
  • prior knowledge
  • training data
  • probabilistic model
  • decision trees
  • data points
  • d objects
  • object detection
  • higher order