Bhhatarai B, Teetz W, Liu T, Öberg T, Jeliazkova N, Kochev N, Pukalov O, Tetko IV, Kovarich S, Papa E, Gramatica P (2011)
CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.
Molecular informatics, Issue 2-3, Vol. 30, 189-204
DOI: 10.1002/minf.201000133, PubMed: 27466773 |
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 (2011)
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
Journal of computer-aided molecular design, Issue 6, Vol. 25, 533-54
DOI: 10.1007/s10822-011-9440-2, PubMed: 21660515 |
Novotarskyi S, Sushko I, Körner R, Pandey AK, Tetko IV (2011)
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition.
Journal of chemical information and modeling, Issue 6, Vol. 51, 1271-80
DOI: 10.1021/ci200091h, PubMed: 21598906 |
