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Data-Driven Ensemble Docking to Map Molecular Interactions of Steroid Analogs with Hepatic Organic Anion Transporting Polypeptides.

Alzbeta TürkováOrsolya UngváriRéka Laczkó-RigóErzsébet MernyákGergely SzakácsCsilla Özvegy-LaczkaBarbara Zdrazil
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • computational model
  • data driven
  • molecular interactions
  • neural network
  • feature selection
  • artificial intelligence
  • biological knowledge
  • interaction networks