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Molecular generative model based on conditional variational autoencoder for de novo molecular design.

Jaechang LimSeongok RyuJin Woo KimWoo Youn Kim
Published in: J. Cheminformatics (2018)
Keyphrases
  • molecular dynamics
  • data driven
  • neural network
  • design process
  • chemical reactions
  • data mining
  • image segmentation
  • generative model
  • building blocks
  • drug discovery
  • drug design