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. TetkoPublished in: J. Chem. Inf. Model. (2010)