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Quantitative structure-activity relationships of mutagenic activity from quantum topological descriptors: triazenes and halogenated hydroxyfuranones (mutagen-X) derivatives.

Paul L. A. PopelierPaul J. SmithUsman A. Chaudry
Published in: J. Comput. Aided Mol. Des. (2004)
Keyphrases
  • quantitative structure activity
  • drug design
  • drug discovery
  • topological features
  • machine learning
  • preprocessing
  • connected components