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Comparative analysis of the use of chemoinformatics-based and substructure-based descriptors for quantitative structure-activity relationship (QSAR) modeling.

Thashmee KarunaratneHenrik BoströmUlf Norinder
Published in: Intell. Data Anal. (2013)
Keyphrases
  • quantitative structure activity
  • drug discovery
  • comparative analysis
  • drug design
  • semi quantitative
  • early stage
  • data mining tools
  • systems biology
  • scientific data
  • biological systems
  • databases
  • real world
  • data mining