Applicability domain for classification problems

por Sushko, Iurii, Novotarskyi, S, Pandey, AK, Körner, R, Tetko, Igor
Publicado 2010

Classification of CYP450 1A2 inhibitors using PubChem data

por Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Pandey, AK, Tetko, Igor
Publicado 2010

OCHEM - on-line CHEmical database & modeling environment

por Novotarskyi, Sergii, Sushko, Iurii, Körner, R, Kumar, Anil Pandey, Rupp, Matthias, Prokopenko, VV, Tetko, Igor
Publicado 2010

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

por Sushko, I, Pandey, AK, Novotarskyi, S, Körner, R, Rupp, M, Teetz, W, Brandmaier, S, Abdelaziz, A, Prokopenko, VV, Tanchuk, VY, Todeschini, R, Varnek, A, Marcou, G, Ertl, P, Potemkin, V, Grishina, M, Gasteiger, J, Baskin, II, Palyulin, VA, Radchenko, EV, Welsh, WJ, Kholodovych, V, Chekmarev, D, Cherkasov, A, Aires-de-Sousa, J, Zhang, Q-Y, Bender, A, Nigsch, F, Patiny, L, Williams, A, Tkachenko, V, Tetko, IV
Publicado 2011