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In Silico Prediction of Major Clearance Pathways of Drugs among 9 Routes with Two-Step Support Vector Machines.

Naomi WakayamaKota ToshimotoKazuya MaedaShun HottaTakashi IshidaYutaka AkiyamaYuichi Sugiyama
Published in: Pharmaceutical research (2018)
We successfully constructed a novel SVM-based predictor for the multiple major clearance pathways based on chemical structures.
Keyphrases
  • wastewater treatment
  • high resolution
  • molecular dynamics simulations