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Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions.

Vema AparnaG. RambabuSunil K. PanigrahiJ. A. R. P. SarmaGautam R. Desiraju
Published in: J. Chem. Inf. Model. (2005)
Keyphrases
  • scoring functions
  • scoring function
  • virtual screening
  • chemical structures
  • data mining
  • biological data
  • drug discovery
  • machine learning
  • learning algorithm
  • high throughput