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Efficient iterative virtual screening with Apache Spark and conformal prediction.

Laeeq AhmedValentin GeorgievMarco CapucciniSalman Zubair ToorWesley SchaalErwin LaureOla Spjuth
Published in: J. Cheminformatics (2018)
Keyphrases
  • conformal prediction
  • probabilistic model
  • chemical structures
  • data mining
  • similarity searching
  • confidence levels
  • virtual screening