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Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening.

Spencer S. EricksenHaozhen WuHuikun ZhangLauren A. MichaelMichael A. NewtonF. Michael HoffmannScott A. Wildman
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • machine learning
  • virtual screening
  • decision trees
  • machine learning methods
  • data sets
  • feature selection
  • drug discovery
  • database
  • data analysis
  • binding sites
  • chemical structures