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TFD: Torsion Fingerprints As a New Measure To Compare Small Molecule Conformations.

Tanja Schulz-GaschChristin SchärferWolfgang GubaMatthias Rarey
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • small number
  • protein structure
  • data mining
  • relational databases
  • database
  • databases
  • real world
  • knowledge base
  • feature vectors
  • upper bound
  • secondary structure