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Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds.

Hanna GeppertTamás HorváthThomas GärtnerStefan WrobelJürgen Bajorath
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • similarity searching
  • similarity search
  • metric space
  • database
  • data sets
  • web search
  • neural network
  • similarity measure
  • distance function
  • ranking functions
  • chemical structures