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Sushko I, Novotarskyi S, Körner R, Pandey AK, 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, Schwab C, Baskin II, Palyulin VA, Radchenko EV, Welsh WJ, Kholodovych V, Chekmarev D, Cherkasov A, Aires-de-Sousa J, Zhang QY, Bender A, Nigsch F, Patiny L, Williams A, Tkachenko V, Tetko IV. J Comput Aided Mol Des. 2011; 25(6):533-54 Pubmed reference |
For ToxAlerts:
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Sushko I, Salmina E, Potemkin VA, Poda G, Tetko IV. J Chem Inf Model. 2012 Aug 27;52(8):2310-6 Pubmed reference |