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Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.

Iurii SushkoSergii NovotarskyiRobert KörnerAnil Kumar PandeyArtem CherkasovJiazhong LiPaola GramaticaKatja HansenTimon SchroeterKlaus-Robert MüllerLili XiHuanxiang LiuXiaojun YaoTomas ÖbergFarhad HormozdiariPhuong DaoSüleyman Cenk SahinalpRoberto TodeschiniPavel G. PolishchukAnatoly G. ArtemenkoVictor KuzminTodd MartinDouglas M. YoungDenis FourchesEugene N. MuratovAlexander TropshaIgor I. BaskinDragos HorvathGilles MarcouChristophe MullerAlexandre VarnekVolodymyr V. ProkopenkoIgor V. Tetko
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • small number
  • complex systems
  • input data
  • real time
  • real world
  • bayesian networks
  • machine learning algorithms
  • statistical model
  • statistical models
  • minimum distance
  • average distance