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Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations.

Biao MaKei TerayamaShigeyuki MatsumotoYuta IsakaYoko SasakuraHiroaki IwataMitsugu ArakiYasushi Okuno
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • artificial intelligence
  • data sets
  • hierarchical structure
  • neural network
  • machine learning
  • numerical simulations
  • structural properties
  • expert systems
  • biological data