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Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC.

Hanna EckertIngo VogtJürgen Bajorath
Published in: J. Chem. Inf. Model. (2006)
Keyphrases
  • virtual screening
  • drug discovery
  • statistical analysis
  • data mining
  • early stage
  • knowledge discovery
  • distance function
  • content analysis
  • similarity searching
  • chemical structures