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The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.

Jie XiaJui-Hua HsiehHuabin HuSong WuXiang Simon Wang
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • virtual screening
  • drug discovery
  • high throughput
  • similarity searching
  • data structure
  • chemical structures
  • machine learning
  • decision trees
  • face recognition
  • user defined