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Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research.

Denis FourchesEugene N. MuratovAlexander Tropsha
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • drug discovery
  • data structure
  • structural properties
  • structural analysis
  • machine learning
  • decision trees
  • knowledge discovery
  • network structure