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Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention.

Hyunseung KimJonggeol NaWon Bo Lee
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • machine learning
  • geometric structure
  • drug discovery
  • chemical reactions
  • molecular level
  • virtual screening
  • data analysis
  • feature selection
  • information extraction
  • generative model
  • contextual information