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Assessing the Effect of 2D Fingerprint Filtering on ILP-Based Structure-Activity Relationships Toxicity Studies in Drug Design.

Rui CamachoMax PereiraVítor Santos CostaNuno A. FonsecaCarlos J. V. SimõesRui M. M. Brito
Published in: PACBB (2011)
Keyphrases
  • drug design
  • quantitative structure activity
  • drug discovery
  • functional genomics
  • databases
  • machine learning
  • knowledge discovery
  • information extraction
  • computational methods