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Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters.

Sebastian SchneckenerSergio GrimbsJessica HeyStephan MenzMaren OsmersSteffen SchaperAlexander HillischAndreas H. Göller
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • machine learning models
  • prediction model
  • probabilistic model
  • data sets
  • prior knowledge
  • em algorithm