Publication
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Artem Cherkasov, Jiazhong Li, Paola Gramatica, Katja Hansen, Timon Schroeter, Klaus-Robert Müller, Lili Xi, Huanxiang Liu, Xiaojun Yao, Tomas Öberg, Farhad Hormozdiari, Phuong Dao, Cenk Sahinalp, Roberto Todeschini, Pavel Polishchuk, Anatoliy Artemenko, Victor Kuz’min, Todd M. Martin, Douglas M. Young, Denis Fourches, Eugene Muratov, Alexander Tropsha, Igor Baskin, Dragos Horvath, Gilles Marcou, Christophe Muller, Alexander Varnek, Volodymyr V. Prokopenko, Igor V. Tetko
Journal of Chemical Information and Computer Sciences, December 2010, American Chemical Society (ACS)
DOI: 10.1021/ci100253r