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Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods.

Jianxin DuanG. Madhavi SastrySteven L. DixonJeffrey F. LowrieWoody Sherman
Published in: J. Cheminformatics (2011)
Keyphrases
  • database
  • data sets
  • database systems
  • genetic algorithm
  • multiscale
  • preprocessing
  • image analysis
  • data mining
  • machine learning
  • feature space
  • significant improvement
  • computational cost
  • data mining techniques