Kramer J. A., 2007, Nat. Rev. Drug Discovery, 6, 636, 10.1038/nrd2378
Ames B. N., 1975, Mutat. Res., 31, 347, 10.1016/0165-1161(75)90046-1
Mortelmans K., 2000, Mutat. Res., 445, 29, 10.1016/S0027-5107(00)00064-6
Iurii Sushko S. N., 2010, J. Chemom., 24, 202, 10.1002/cem.1296
Benigni R., 1988, J. Toxicol. Environ. Health, 25, 135, 10.1080/15287398809531194
Hansen K., 2009, J. Chem. Inf. Model., 49, 2077, 10.1021/ci900161g
Cheng F., 2011, J. Chem. Inf. Model., 51, 996, 10.1021/ci200028n
Cheng F., 2011, J. Chem. Inf. Model., 51, 2482, 10.1021/ci200317s
Cheng F., 2011, Chemosphere, 82, 1636, 10.1016/j.chemosphere.2010.11.043
Cheng F., 2012, J. Chem. Inf. Model., 52, 655, 10.1021/ci200622d
Cheng F., 2012, Mol. BioSyst., 8, 2373, 10.1039/c2mb25110h
Guha R., 2008, J. Chem. Inf. Model., 48, 456, 10.1021/ci700188u
Votano J. R., 2004, Mutagenesis, 19, 365, 10.1093/mutage/geh043
Kazius J., 2005, J. Med. Chem., 48, 312, 10.1021/jm040835a
Zheng M., 2006, Bioinformatics, 22, 2099, 10.1093/bioinformatics/btl352
Ferrari T., 2010, Chem. Cent. J., 4, S2, 10.1186/1752-153X-4-S1-S2
Hillebrecht A., 2011, Chem. Res. Toxicol., 24, 843, 10.1021/tx2000398
Willett P., 1998, J. Chem. Inf. Comput. Sci., 38, 983, 10.1021/ci9800211
Ewing T., 2006, J. Chem. Inf. Model., 46, 2423, 10.1021/ci060155b
Wang S., 2012, Mol. Pharmaceutics, 9, 996, 10.1021/mp300023x
Chen L., 2011, Mol. Pharmaceutics, 8, 889, 10.1021/mp100465q
Lazar Toxcity Predictions.http://lazar.in-silico.de/models(accessed December 30, 2011) .
Yap C. W., 2010, J. Comput. Chem., 32, 1466, 10.1002/jcc.21707
ChemAxon.http://www.chemaxon.com(accessed January 5, 2012) .
Fourches D., 2010, J. Chem. Inf. Model., 50, 1189, 10.1021/ci100176x
Orange, version 2.0.b.http://www.ailab.si/orange/(accessed November 20, 2011) .
Chang, C.; Lin, C.J.LIBSVM, version 2.9.http://www.csie.ntu.edu.tw/∼cjlin/libsvm(accessed November 28, 2011) .
KNIME, version 2.4.2.http://www.knime.org/(accessed November 28, 2011) .
Basheer I. A., 2000, J. Microbiol. Methods, 43, 3, 10.1016/S0167-7012(00)00201-3
Martin Riedmiller, H. B.A Direct Adaptive Method for Faster Backpropagation Learning: The RPROP Algorithm.Proceedings of the IEEE International Conference on Neural Networks (ICNN) ; 1993, Vol.16, pp586–591.
Itskowitz P., 2005, J. Chem. Inf. Model., 45, 777, 10.1021/ci049628+
Corinna Cortes V. V., 1995, Machine Learning, 20, 273
Sun H., 2005, J. Med. Chem., 48, 4031, 10.1021/jm050180t
Plewczynski D., 2006, J. Chem. Inf. Model., 46, 1098, 10.1021/ci050519k
Quinlan J. R., 1993, C4.5: Programs for Machine Learning
Perez-Garrido A., 2011, J. Chem. Inf. Model., 51, 2746, 10.1021/ci2003076
Shen J., 2010, J. Chem. Inf. Model., 50, 1034, 10.1021/ci100104j
Jensen B. F., 2007, J. Med. Chem., 50, 501, 10.1021/jm060333s
Evans B. E., 1988, J. Med. Chem., 31, 2235, 10.1021/jm00120a002
Kruhlak N. L., 2007, Adv. Drug Delivery Rev., 59, 43, 10.1016/j.addr.2006.10.008
Benigni R., 2008, Mutat. Res., 659, 248, 10.1016/j.mrrev.2008.05.003
CPDB.http://potency.berkeley.edu/cpdb.html(accessed November 14, 2011) .
CCRIS.http://toxnet.nlm.nih.gov./cgi-bin/sis/htmlgen?CCRIS(accessed November 18, 2011) .
Lounkine E., 2009, J. Chem. Inf. Model., 49, 561, 10.1021/ci800377n
Chen B., 2012, J. Chem. Inf. Model., 52, 792, 10.1021/ci200615h
Benigni R., 2005, Chem. Rev., 105, 1767, 10.1021/cr030049y
Jeliazkova, N.Toxtree, version 2.5.0;http://ihcp.jrc.ec.europa.eu/our_labs/computational_toxicology/qsar_tools/toxtree(accessed December 15, 2011) .
Pavan M., 2008, SAR QSAR Environ. Res., 19, 785, 10.1080/10629360802550390
