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Predicting skin permeability using the 3D-RISM-KH theory based solvation energy descriptors for a diverse class of compounds.

Vijaya Kumar HingeDipankar RoyAndriy Kovalenko
Published in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
  • theoretical framework
  • theoretical basis
  • human skin
  • wide variety
  • low energy
  • real world
  • energy minimization
  • data sets
  • feature extraction
  • video sequences
  • energy consumption
  • shape descriptors