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PENG: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation, and Virtual Screening for Novel Ligands of LTA4H.

Daniel MoserSandra K. WittmannJan KramerRené BlöcherJanosch AchenbachDenys PogoryelovEwgenij Proschak
Published in: J. Chem. Inf. Model. (2015)
Keyphrases
  • neural gas
  • clustering method
  • pairwise
  • virtual screening
  • machine learning
  • similarity measure
  • probabilistic model
  • wavelet transform
  • drug discovery