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

Sushko I, Novotarskyi S, Korner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Muller KR, Xi L, Liu H, Yao X, Oberg T, Hormozdiari F, Dao P, Sahinalp C, Todeschini R, Polishchuk P, Artemenko A, Kuz’min V, Martin TM, Young DM, Fourches D, Muratov E, Tropsha A, Baskin I, Horvath D, Marcou G, Varnek A, Prokopenko VV, Tetko IV.
27 September 2010
J. Chem. Inf. Model., 2010, 50 (12), pp 2094–2111

Abstract