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Prediction model for milk transfer of drugs by primarily evaluating the area under the curve using QSAR/QSPR.

Tae MaeshimaShin YoshidaMachiko WatanabeFumio Itagaki
Published in: Pharmaceutical research (2023)
prediction model using QSAR/QSPR. These predictive models can play an auxiliary role in evaluating the milk transferability of drugs.
Keyphrases
  • molecular docking
  • molecular dynamics
  • structure activity relationship
  • drug induced
  • molecular dynamics simulations