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SeeSAR/HYDE: scientific details

  •  
  • HYDE theory
  • the traditional approach to empiric scoring
  • motivation for a radically different approach
  • the dehydration part
  • plogPi – atom-based hydrophobicity
  • the H-bond network in water
  • temperature-dependent H-bond energy
  • polar dehydration and H-bond formation
  • the interaction part
  • putting it all together
  • HYDE in practice
  • HYDE – intuitive scoring
  • accurate predictions require precise input
  • HYDE – vScreen success @ Bayer
  • virtual screening with HYDE
  • affinity prediction on congeneric series
  • affinity prediction on congeneric series
  • HYDE – highlighting opportunities
  • HYDE – predicting activity cliffs
  • HYDE testimonials
  • HYDE visual affinities

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