-
1
-
-
84955675821
-
-
Handbook of Molecular Descriptors, Wiley-VCH, Weinheim
-
R. Todeschini, V. Consonni, Handbook of Molecular Descriptors, Wiley-VCH, Weinheim, 2001.
-
(2001)
-
-
Todeschini, R.1
Consonni, V.2
-
2
-
-
0041936278
-
-
F. H. Allen, J. E. Davies, J. J. Galloy, O. Johnson, O. Kennaed, C. F. Macrae, E. M. Mitchell, G. F. Mitchell, J. M. Smith, D, G. Watson, J. Chem. Inf. Comput. Sci. 1991, 31, 187-204.
-
(1991)
J. Chem. Inf. Comput. Sci
, vol.31
, pp. 187-204
-
-
Allen, F.H.1
Davies, J.E.2
Galloy, J.J.3
Johnson, O.4
Kennaed, O.5
Macrae, C.F.6
Mitchell, E.M.7
Mitchell, G.F.8
Smith, J.M.D.9
Watson, G.10
-
3
-
-
0003091938
-
Cambridge Structural Database
-
P. V.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer, III, P. R. Schreiner, Eds., John Wiley and Sons: Chichester, UK
-
F. H. Allen, V. J. Hoy, Cambridge Structural Database. In Encyclopedia of Computational Chemistry, P. V.R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer, III, P. R. Schreiner, Eds., John Wiley and Sons: Chichester, UK, 1998, 155-167.
-
(1998)
In Encyclopedia of Computational Chemistry
, pp. 155-167
-
-
Allen, F.H.1
Hoy, V.J.2
-
4
-
-
31444452744
-
-
J. Gasteiger, C. Rudolph, J. Sadowski, Tetrahedron Comput. Method. 1992, 3, 537-547.
-
(1992)
Tetrahedron Comput. Method
, vol.3
, pp. 537-547
-
-
Gasteiger, J.1
Rudolph, C.2
Sadowski, J.3
-
5
-
-
0028466540
-
-
J. Sadowski, J. Gasteiger, G. Klebe, J. Chem. Inf. Comput. Sci. 1994, 34, 1000-1008.
-
(1994)
J. Chem. Inf. Comput. Sci
, vol.34
, pp. 1000-1008
-
-
Sadowski, J.1
Gasteiger, J.2
Klebe, G.3
-
6
-
-
28644434101
-
-
is available from Molecular Networks GmbH, Nägelsbachstr. 25, 91052 Erlangen, Germany and can be tested via the Internet at http://www2.chemie.uni-erlangen.de/software/carina
-
CORINA Version 3.0 is available from Molecular Networks GmbH, Nägelsbachstr. 25, 91052 Erlangen, Germany (http://www.mol-net.de) and can be tested via the Internet at http://www2.chemie.uni-erlangen.de/software/carina.
-
CORINA Version 3.0
-
-
-
8
-
-
0033020898
-
-
G. Klebe, T. Mietzner, F. Weber, J. Comput.-Aided Mol. Des. 1999, 13, 35-49.
-
(1999)
J. Comput.-Aided Mol. Des
, vol.13
, pp. 35-49
-
-
Klebe, G.1
Mietzner, T.2
Weber, F.3
-
9
-
-
13344249844
-
3D Structure Generation and Conformational Searching
-
P. Bultinck, H. De Winter, W. Langenaeker, J. P. Tollenare J. P., Eds., Dekker Inc., New York
-
J. Saolowski, C. H. Schwab, J. Gasteiger, 3D Structure Generation and Conformational Searching, in Computational Medicinal Chemistry and Drug Discovery, P. Bultinck, H. De Winter, W. Langenaeker, J. P. Tollenare J. P., Eds., Dekker Inc., New York, 2003, in press.
-
(2003)
Computational Medicinal Chemistry and Drug Discovery
-
-
Saolowski, J.1
Schwab, C.H.2
Gasteiger, J.3
-
21
-
-
84955747995
-
-
25, 91052 Erlangen, Germany and can be tested via the Internet
-
PETRA Version 3 is available from Molecular Networks GmbH, Nägelsbachstr. 25, 91052 Erlangen, Germany (http://www.mol-net.de) and can be tested via the Internet at http://www2.chemie.uni-erlangen.de/software/petra.
-
PETRA Version 3 is available from Molecular Networks GmbH, Nägelsbachstr
-
-
-
22
-
-
84955723393
-
-
Neural Networks in Chemistry and Drug Design, 2nd edn, Wiley-VCH, Weinheim
-
J. Zupan, J. Gasteiger, Neural Networks in Chemistry and Drug Design, 2nd edn, Wiley-VCH, Weinheim, 1999.
-
(1999)
-
-
Zupan, J.1
Gasteiger, J.2
-
25
-
-
0003410791
-
-
M. R. Schröder, Eds., Springer: Berlin
-
T. Kohonen, Self-Organizing Maps, T. S. Huang, T. Kohonen, M. R. Schröder, Eds., Springer: Berlin, 1995.
-
(1995)
Self-Organizing Maps
-
-
Kohonen, T.1
Huang, T.S.2
Kohonen, T.3
-
27
-
-
0030278229
-
-
H. Bauknecht, A. Zell, H. Bayer, P. Levi, M. Wagener, J. Sadowski, J. Gasteiger, J. , J. Chem. Inf. Comput. Sri. 1996, 36, 1205-1213.
-
(1996)
J. Chem. Inf. Comput. Sri
, vol.36
, pp. 1205-1213
-
-
Bauknecht, H.1
Zell, A.2
Bayer, H.3
Levi, P.4
Wagener, M.5
Sadowski, J.6
Gasteiger, J.J.7
-
30
-
-
0000224701
-
-
J. H. Schuur, P. Selzer, J. Gasteiger, J. Chem. Inf. Comput. Sci. 1996, 36, 334-344.
-
(1996)
J. Chem. Inf. Comput. Sci
, vol.36
, pp. 334-344
-
-
Schuur, J.H.1
Selzer, P.2
Gasteiger, J.3
-
31
-
-
0034599145
-
-
P. Selzer, J. Gasteiger, H. Thomas, R. Salzer, Chemistry - A European Journal 2000, 6, 920-927.
-
(2000)
Chemistry - A European Journal
, vol.6
, pp. 920-927
-
-
Selzer, P.1
Gasteiger, J.2
Thomas, H.3
Salzer, R.4
-
32
-
-
0001219854
-
-
M. C. Hemmer, V. Steinhauer, J. Gasteiger, Vibrat. Spectroscopy 1999, 19, 151-164.
-
(1999)
Vibrat. Spectroscopy
, vol.19
, pp. 151-164
-
-
Hemmer, M.C.1
Steinhauer, V.2
Gasteiger, J.3
-
36
-
-
0028851251
-
-
M. Wagener, J. Sadowski, J. Gasteiger, J. Am. Chem. Soc. 1995, 117, 7769-7775.
-
(1995)
J. Am. Chem. Soc
, vol.117
, pp. 7769-7775
-
-
Wagener, M.1
Sadowski, J.2
Gasteiger, J.3
-
37
-
-
0006548911
-
-
Angew. Chem. Int. Ed. Engl. 1995, 34, 2674-2677
-
J. Sadowski, M. Wagener, J. Gasteiger, Angew. Chem. 1995, 107, 2892-2895, Angew. Chem. Int. Ed. Engl. 1995, 34, 2674-2677.
-
(1995)
Angew. Chem
, vol.107
, pp. 2892-2895
-
-
Sadowski, J.1
Wagener, M.2
Gasteiger, J.3
-
39
-
-
0000583538
-
-
J. Gasteiger, X. Li, Ch. Rudolph, J. Sadowski, J. Zupan, J. Am. Chem. Soe. 1994, 116, 4608-4620.
-
(1994)
J. Am. Chem. Soe
, vol.116
, pp. 4608-4620
-
-
Gasteiger, J.1
Li, X.2
ChRudolph.3
Sadowski, J.4
Zupan, J.5
-
40
-
-
0000010351
-
-
Angew. Chem. Int. Ed. Engl. 1994, 33, 643-646
-
J. Gasteiger, X. Li, Angew. Chem. 1994, 106, 671-674
-
(1994)
Angew. Chem
, vol.106
, pp. 671-674
-
-
Gasteiger, J.1
Li, X.2
-
41
-
-
0030339936
-
-
S. Anzali, G. Barnickel, M. Krug, J. Sadowski, M. Wagener, J. Gasteiger, J. Polanski, J. Comput.-Aided Mol. Design 1996, 10, 521-534.
-
(1996)
J. Comput.-Aided Mol. Design
, vol.10
, pp. 521-534
-
-
Anzali, S.1
Barnickel, G.2
Krug, M.3
Sadowski, J.4
Wagener, M.5
Gasteiger, J.6
Polanski, J.7
-
42
-
-
0343027776
-
-
J. Polanski, J. Gasteiger, M. Wagener, J. Sadowski, Quant. Struct-Act. Relat. 1998, 17, 27-36.
-
(1998)
Quant. Struct-Act. Relat
, vol.17
, pp. 27-36
-
-
Polanski, J.1
Gasteiger, J.2
Wagener, M.3
Sadowski, J.4
|