-
1
-
-
85164045122
-
-
ECHA, http://echa.europa.eu/
-
-
-
-
2
-
-
77956964002
-
-
A. Tropsha, Mol. Inf. 2010, 29, 476-488.
-
(2010)
Mol. Inf.
, vol.29
, pp. 476-488
-
-
Tropsha, A.1
-
4
-
-
85164053173
-
-
OECD, http://www.oecd.org
-
-
-
-
8
-
-
0034142319
-
-
M. Grover, B. Singh, M. Bakshi, S. Singh, Pharm. Sci. Tech. Today 2000, 3, 50-57.
-
(2000)
Pharm. Sci. Tech. Today
, vol.3
, pp. 50-57
-
-
Grover, M.1
Singh, B.2
Bakshi, M.3
Singh, S.4
-
9
-
-
0033959235
-
-
M. Grover, B. Singh, M. Bakshi, S. Singh, Pharm. Sci. Tech. Today 2000, 3, 28-35.
-
(2000)
Pharm. Sci. Tech. Today
, vol.3
, pp. 28-35
-
-
Grover, M.1
Singh, B.2
Bakshi, M.3
Singh, S.4
-
10
-
-
77952638113
-
-
C. M. Ellison, J. C. Madden, P. Judson, M. T. D. Cronin, Mol. Inf. 2010, 29, 97-110.
-
(2010)
Mol. Inf.
, vol.29
, pp. 97-110
-
-
Ellison, C.M.1
Madden, J.C.2
Judson, P.3
Cronin, M.T.D.4
-
11
-
-
77952663843
-
-
L. Michielan, L. Pireddu, M. Floris, S. Moro, Mol. Inf. 2010, 29, 51-64.
-
(2010)
Mol. Inf.
, vol.29
, pp. 51-64
-
-
Michielan, L.1
Pireddu, L.2
Floris, M.3
Moro, S.4
-
13
-
-
38849180066
-
-
T. I. Netzeva, M. Pavan, A. P. Worth, QSAR Comb. Sci. 2008, 27, 77-90.
-
(2008)
QSAR Comb. Sci.
, vol.27
, pp. 77-90
-
-
Netzeva, T.I.1
Pavan, M.2
Worth, A.P.3
-
16
-
-
0037450894
-
-
S. R. Saraf, W. J. Rogers, M. S. Mannan, J. Hazard. Mater. 2003, 98, 15-29.
-
(2003)
J. Hazard. Mater.
, vol.98
, pp. 15-29
-
-
Saraf, S.R.1
Rogers, W.J.2
Mannan, M.S.3
-
17
-
-
0037414154
-
-
S. R. Saraf, W. J. Rogers, M. S. Mannan, Ind. Eng. Chem. Res. 2003, 42, 1341-1346.
-
(2003)
Ind. Eng. Chem. Res.
, vol.42
, pp. 1341-1346
-
-
Saraf, S.R.1
Rogers, W.J.2
Mannan, M.S.3
-
18
-
-
12344310141
-
-
E. Theerlynck, D. Mathieu, P. Simonetti, Thermochim. Acta 2005, 426, 123-129.
-
(2005)
Thermochim. Acta
, vol.426
, pp. 123-129
-
-
Theerlynck, E.1
Mathieu, D.2
Simonetti, P.3
-
19
-
-
54049125338
-
-
M. H. Keshavarz, H. R. Pouretedal, A. Shokrolahi, A. Zali, A. Semnani, J. Hazard. Mater. 2008, 160, 142-147.
-
(2008)
J. Hazard. Mater.
, vol.160
, pp. 142-147
-
-
Keshavarz, M.H.1
Pouretedal, H.R.2
Shokrolahi, A.3
Zali, A.4
Semnani, A.5
-
21
-
-
57749096886
-
-
G. Fayet, L. Joubert, P. Rotureau, C. Adamo, Chem. Phys. Lett. 2009, 467, 407-411.
-
(2009)
Chem. Phys. Lett.
, vol.467
, pp. 407-411
-
-
Fayet, G.1
Joubert, L.2
Rotureau, P.3
Adamo, C.4
-
22
-
-
70349235366
-
-
G. Fayet, P. Rotureau, L. Joubert, C. Adamo, J. Hazard. Mater. 2009, 171, 845-850.
-
(2009)
J. Hazard. Mater.
, vol.171
, pp. 845-850
-
-
Fayet, G.1
Rotureau, P.2
Joubert, L.3
Adamo, C.4
-
23
-
-
77954574454
-
-
G. Fayet, P. Rotureau, L. Joubert, C. Adamo, J. Mol. Model. 2010, 16, 805-812.
-
(2010)
J. Mol. Model.
, vol.16
, pp. 805-812
-
-
Fayet, G.1
Rotureau, P.2
Joubert, L.3
Adamo, C.4
-
26
-
-
72949099122
-
-
G. Fayet, L. Joubert, P. Rotureau, C. Adamo, J. Phys. Chem. A 2009, 113, 13621-13627.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 13621-13627
-
-
Fayet, G.1
Joubert, L.2
Rotureau, P.3
Adamo, C.4
-
27
-
-
0026262160
-
-
T. Ando, Y. Fujimoto, S. Morisaki, J. Hazard. Mater. 1991, 28, 251-280.
-
(1991)
J. Hazard. Mater.
, vol.28
, pp. 251-280
-
-
Ando, T.1
Fujimoto, Y.2
Morisaki, S.3
-
28
-
-
79952177721
-
-
Gaussian Inc.
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian03, 2004, Gaussian Inc. http://www.gaussian.com
-
(2004)
Gaussian03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
30
-
-
84857800312
-
-
University of Florida
-
CodessaPro, 2002, University of Florida.
-
(2002)
CodessaPro
-
-
-
32
-
-
85164049069
-
-
SIMCA P+, Version 12.0, 2009, Umetrics AB
-
SIMCA P+, Version 12.0, 2009, Umetrics AB.
-
-
-
-
33
-
-
0035965476
-
-
S. Wold, M. Sjöström, L. Eriksson, Chemom. Intell. Lab. Syst. 2001, 58, 109-130.
-
(2001)
Chemom. Intell. Lab. Syst.
, vol.58
, pp. 109-130
-
-
Wold, S.1
Sjöström, M.2
Eriksson, L.3
-
35
-
-
76749092270
-
-
M. Hall, E. Franck, G. Holmes, B. Pfahringer, P. Reutemann, I. H. Written, SIGKDD Explor. 2009, 11, 10-18.
-
(2009)
SIGKDD Explor.
, vol.11
, pp. 10-18
-
-
Hall, M.1
Franck, E.2
Holmes, G.3
Pfahringer, B.4
Reutemann, P.5
Written, I.H.6
-
36
-
-
85164052011
-
-
WEKA
-
WEKA, http://www.cs.waikato.ac.nz/ml/weka/
-
-
-
-
38
-
-
27744590591
-
-
J. Jaworska, N. Nikolova-Jeliazkova, T. Aldenberg, Altern. Lab. Anim. 2005, 33, 445-459.
-
(2005)
Altern. Lab. Anim.
, vol.33
, pp. 445-459
-
-
Jaworska, J.1
Nikolova-Jeliazkova, N.2
Aldenberg, T.3
-
40
-
-
44349109511
-
-
G. Fayet, L. Joubert, P. Rotureau, C. Adamo, J. Phys. Chem. A 2008, 112, 4054-4059.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 4054-4059
-
-
Fayet, G.1
Joubert, L.2
Rotureau, P.3
Adamo, C.4
|