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

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert ; Pandey, Anil Kumar ; Cherkasov, Artem ; Li, Jiazhong ; Gramatica, Paola ; Hansen, Katja ; Schroeter, Timon ; Müller, Klaus-Robert ; Xi, Lili ; Liu, Huanxiang ; Yao, Xiaojun ; Öberg, Tomas ; Hormozdiari, Farhad ; Dao, Phuong ; Sahinalp, Cenk ; Todeschini, Roberto ; Polishchuk, Pavel ; Artemenko, Anatoliy ; Kuz’min, Victor ; Martin, Todd M ; Young, Douglas M ; Fourches, Denis ; Muratov, Eugene ; Tropsha, Alexander ; Baskin, Igor ; Horvath, Dragos ; Marcou, Gilles ; Muller, Christophe ; Varnek, Alexander ; Prokopenko, Volodymyr V ; Tetko, Igor V

Journal of chemical information and modeling, 2010-12-27, Vol.50 (12), p.2094-2111 [Peer Reviewed Journal]

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