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General Approach to Estimate Error Bars for Quantitative Structure-Activity Relationship Predictions of Molecular Activity.

Ruifeng LiuKyle P. GloverMichael G. FeaselAnders Wallqvist
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • quantitative structure activity
  • drug design
  • drug discovery
  • estimation error
  • decision trees
  • multi agent systems
  • data analysis
  • data acquisition
  • high throughput