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Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism.

Jiahui YuJike WangHong ZhaoJunbo GaoYu KangDong-Sheng CaoZhe WangTingjun Hou
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • attention mechanism
  • prediction accuracy
  • visual attention
  • graph structure
  • weighted graph
  • high quality
  • directed graph
  • information retrieval
  • metadata
  • similarity measure
  • multiscale
  • vision system
  • higher level