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De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites.

Mingyuan XuTing RanHongming Chen
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • generative model
  • binding sites
  • prior knowledge
  • probabilistic model
  • dna sequences
  • sequence data
  • data mining
  • training data