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Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data.

Martin LindhFredrik SvenssonWesley SchaalJin ZhangChristian SköldPeter BrandtAnders Karlén
Published in: J. Chem. Inf. Model. (2015)
Keyphrases
  • data sets
  • training data
  • database
  • data analysis
  • data collection
  • data sources
  • data acquisition
  • pairwise
  • high dimensional data
  • databases
  • data structure
  • knowledge discovery
  • knn
  • data mining methods