-
3
-
-
23644460293
-
-
M. Villanueva-Garcíaa, R. N. Gutiérrez-Pararb, A. Martínez-Richaa, J. Robles, J. Mol. Struct.: THEOCHEM 2005, 727, 63-69.
-
(2005)
J. Mol. Struct.: THEOCHEM
, vol.727
, pp. 63-69
-
-
Villanueva-Garcíaa, M.1
Gutiérrez-Pararb, R.N.2
Martínez-Richaa, A.3
Robles, J.4
-
4
-
-
0003629544
-
-
University of Florida, Gainesville, FL
-
A. R. Katritzky, V. S. Lobanov, M. Karelson, CODESSA: Training Manual, University of Florida, Gainesville, FL
-
CODESSA: Training Manual
-
-
Katritzky, A.R.1
Lobanov, V.S.2
Karelson, M.3
-
5
-
-
58149108676
-
-
M. H. Douglas, C. B. Subhash, M. Denise, J. Chem. Inf. Comput. Sci. 2003, 43, 579-586.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 579-586
-
-
Douglas, M.H.1
Subhash, C.B.2
Denise, M.3
-
6
-
-
85192672130
-
-
ISIS Draw2. 3, MDL Information Systems, Inc. 1990 - 2000.
-
ISIS Draw2. 3, MDL Information Systems, Inc. 1990 - 2000.
-
-
-
-
7
-
-
85192680269
-
-
6. 01. Hypercube, Inc
-
HyperChem 6. 01. Hypercube, Inc. 2000.
-
(2000)
-
-
HyperChem1
-
8
-
-
0003845932
-
-
Indiana University, Bloomington, IN
-
J. P. P. Stewart, MOPAC 6.0, Quantum Chemistry Program Exchange, QCPE, No. 455, Indiana University, Bloomington, IN 1989.
-
(1989)
MOPAC 6.0, Quantum Chemistry Program Exchange, QCPE, No. 455
-
-
Stewart, J.P.P.1
-
9
-
-
0004141533
-
-
CODESSA:, University of Florida, Gainesville, FL
-
A. R. Katritzky, V S. Lobanov, M. Karelson, CODESSA: Reference Manual, University of Florida, Gainesville, FL 1994.
-
(1994)
Reference Manual
-
-
Katritzky, A.R.1
Lobanov, V.S.2
Karelson, M.3
-
10
-
-
0035526147
-
-
A. R. Katritzky, R. Petrukhin, R. Jain, M. Karelson, J. Chem. Inf. Comput. Sci. 2001, 41, 1521-1530.
-
(2001)
J. Chem. Inf. Comput. Sci
, vol.41
, pp. 1521-1530
-
-
Katritzky, A.R.1
Petrukhin, R.2
Jain, R.3
Karelson, M.4
-
11
-
-
33644594475
-
-
J. Shi, F. Luan, H. X. Zhang, M. C. Liu, Q. X. Guo, Z. D. Hu, B. T. Fan, QSAR Comb. Sci. 2006, 25, 147-155.
-
(2006)
QSAR Comb. Sci
, vol.25
, pp. 147-155
-
-
Shi, J.1
Luan, F.2
Zhang, H.X.3
Liu, M.C.4
Guo, Q.X.5
Hu, Z.D.6
Fan, B.T.7
-
12
-
-
4043071270
-
-
X. J. Yao, A. Panaye, P. Doucet, R. S. Zhang, H. F. Chen, M. C. Liu, Z. D. Hu, B. T. Fan, J. Chem. Inf. Comput. Sci. 2004, 44, 1257-1266.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1257-1266
-
-
Yao, X.J.1
Panaye, A.2
Doucet, P.3
Zhang, R.S.4
Chen, H.F.5
Liu, M.C.6
Hu, Z.D.7
Fan, B.T.8
-
13
-
-
33747892117
-
-
F. Luan, X. Y. Zhang, H. X. Zhang, R. S. Zhang, M. C. Liu, Z. D. Hu, B. T. Fan, Comput. Mater. Sci. 2006, 37, 454-461.
-
(2006)
Comput. Mater. Sci
, vol.37
, pp. 454-461
-
-
Luan, F.1
Zhang, X.Y.2
Zhang, H.X.3
Zhang, R.S.4
Liu, M.C.5
Hu, Z.D.6
Fan, B.T.7
-
16
-
-
0034740222
-
-
R. Burbidge, M. Trotter, B. Buxton, S. Holden, Comput. Chem. 2001, 26, 5-14.
-
(2001)
Comput. Chem
, vol.26
, pp. 5-14
-
-
Burbidge, R.1
Trotter, M.2
Buxton, B.3
Holden, S.4
-
17
-
-
0036007085
-
-
Y. D. Cai, X. J. Liu, X. B. Xu, K. C. Chou, Comput. Chem. 2002, 26, 293-296.
-
(2002)
Comput. Chem
, vol.26
, pp. 293-296
-
-
Cai, Y.D.1
Liu, X.J.2
Xu, X.B.3
Chou, K.C.4
-
18
-
-
30844443282
-
-
A. G. Maldonado, J. P. Doucet, M. Petitjean, B. T. Fan, Mol. Divers 2006, 10, 39-79.
-
(2006)
Mol. Divers
, vol.10
, pp. 39-79
-
-
Maldonado, A.G.1
Doucet, J.P.2
Petitjean, M.3
Fan, B.T.4
-
20
-
-
34247340197
-
-
a) G. Melagraki, A. Afantitis, H. Sarimveis, P. A. Koutentis, J. Markopoulos, O. Igglessi-Markopoulos, J. Comput. Aided Mol. Des. 2007, 21, 251-267;
-
(2007)
J. Comput. Aided Mol. Des
, vol.21
, pp. 251-267
-
-
Melagraki, G.1
Afantitis, A.2
Sarimveis, H.3
Koutentis, P.A.4
Markopoulos, J.5
Igglessi-Markopoulos, O.6
-
21
-
-
33947228423
-
-
b) S. X. Zhang, L. Y. Wei, K. Bastow, W. F. Zheng, A. Brossi, K. Lee, A. Tropsha, J. Comput. Aided Mol. Des. 2007, 21, 97-112.
-
(2007)
J. Comput. Aided Mol. Des
, vol.21
, pp. 97-112
-
-
Zhang, S.X.1
Wei, L.Y.2
Bastow, K.3
Zheng, W.F.4
Brossi, A.5
Lee, K.6
Tropsha, A.7
-
23
-
-
22144445637
-
-
G. G. Cash, B. Anderson, K. Mayo, S. Bogaczyk, J. Tunkel, Mutat. Res. 2005, 585, 170-183.
-
(2005)
Mutat. Res
, vol.585
, pp. 170-183
-
-
Cash, G.G.1
Anderson, B.2
Mayo, K.3
Bogaczyk, S.4
Tunkel, J.5
-
25
-
-
26944468691
-
-
E. Papa, F. Villa, P Gramatica, J. Chem. Inf. Model. 2005, 45, 1256-1266.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1256-1266
-
-
Papa, E.1
Villa, F.2
Gramatica, P.3
-
26
-
-
5444232094
-
-
P. Ramatica, P. Pilutti, E. Papa, J. Chem. Inf. Comput. Sci. 2004, 44, 1794-1802.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1794-1802
-
-
Ramatica, P.1
Pilutti, P.2
Papa, E.3
-
27
-
-
33846809281
-
-
P. Gramatica, E. Giani, E. Papa, J. Mol. Graph, Model. 2007, 25, 755-766.
-
(2007)
J. Mol. Graph, Model
, vol.25
, pp. 755-766
-
-
Gramatica, P.1
Giani, E.2
Papa, E.3
-
28
-
-
0038724207
-
-
A. Tropsha, P. Gramatica, V. K. Gombar, QSAR Comb. Sci. 2003, 22, 69-76.
-
(2003)
QSAR Comb. Sci
, vol.22
, pp. 69-76
-
-
Tropsha, A.1
Gramatica, P.2
Gombar, V.K.3
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