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Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs.

Lisa PeltasonPreeti IyerJürgen Bajorath
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • three dimensional
  • activity patterns
  • human activities
  • fitness landscape
  • computer vision
  • similarity measure
  • multiscale
  • search algorithm
  • x ray
  • range images