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Predicting pKa values from EEM atomic charges.

Radka Svobodová VarekováStanislav GeidlCrina-Maria IonescuOndrej SkrehotaTomás BouchalDavid SehnalRuben AbagyanJaroslav Koca
Published in: J. Cheminformatics (2013)
Keyphrases
  • multiscale
  • image processing
  • user defined
  • data sets
  • preprocessing
  • databases
  • information systems
  • relational databases
  • standard deviation
  • parameter values
  • predicting future