Petrans: de novo drug design with protein-specific encoding based on transfer learning

HIGHLIGHTS

  • who: Xun Wang and colleagues from the College of Computer Science and Technology, China University of Petroleum (East China) have published the research work: PETrans: De Novo Drug Design with Protein-Specific Encoding Based on Transfer Learning, in the Journal: (JOURNAL)
  • what: In this study a deep learning method for generating target-specific ligands was proposed. To drug repurposing, the authors provide new ideas for drug discovery. Shifting Distributions of Properties during Transfer Learning We the authors compare molecular properties propertiesofofthe thegenerated generatedmolecules moleu2010 comparethe thedistributions distributionsof of four four molecular cules transfer learning dataset . . .

     

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