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Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

Jun ShangHuiyong SunHui LiuFu ChenSheng TianPeichen PanDan LiDe-Xin KongTingjun Hou
Published in: J. Cheminformatics (2017)
Keyphrases
  • structural features
  • comparative analysis
  • structural information
  • semantic features
  • digital libraries
  • secondary structure
  • multimedia
  • domain knowledge
  • feature set
  • machine learning
  • artificial intelligence