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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String.

Piotr CysewskiMaciej Przybylek
Published in: Symmetry (2019)
Keyphrases
  • data structure
  • data sets
  • feature vectors
  • web pages
  • keypoints
  • shape descriptors