-
4
-
-
0036254461
-
-
Nilakantan, R.; Immermann, F.; Haraki, K. Comb. Chem. High Throughput Screen., 2002, 5, 105.
-
(2002)
Comb. Chem. High Throughput Screen.
, vol.5
, pp. 105
-
-
Nilakantan, R.1
Immermann, F.2
Haraki, K.3
-
5
-
-
4344569207
-
-
Lowrie, J.F.; Delisle, R.K.; Hobbs, D.W.; Diller, D.J. Comb. Chem. High Throughput Screen., 2004, 7, 495.
-
(2004)
Comb. Chem. High Throughput Screen.
, vol.7
, pp. 495
-
-
Lowrie, J.F.1
Delisle, R.K.2
Hobbs, D.W.3
Diller, D.J.4
-
6
-
-
0004121971
-
-
Wiley-VCH, Weinheim
-
Zupan, J.; Gasteiger, J. Neural Networks in Chemistry and Drug Design, Second Edition, Wiley-VCH, Weinheim, 1999.
-
(1999)
Neural Networks in Chemistry and Drug Design, Second Edition
-
-
Zupan, J.1
Gasteiger, J.2
-
8
-
-
33745791950
-
-
Lothar, T.; Gasteiger, J. Drug Discov. Today, 2001, 6, Suppl., S10.
-
(2001)
Drug Discov. Today
, vol.6
, Issue.SUPPL.
-
-
Lothar, T.1
Gasteiger, J.2
-
11
-
-
0037389701
-
-
Gasteiger, J.; Teckentrup, A.; Terfloth, L.; Spycher, S. J. Phys. Org. Chem., 2003, 16, 232.
-
(2003)
J. Phys. Org. Chem.
, vol.16
, pp. 232
-
-
Gasteiger, J.1
Teckentrup, A.2
Terfloth, L.3
Spycher, S.4
-
20
-
-
0003410791
-
-
http://www.cis.hut.fi/research/som-research/nnrc-programs.shtml
-
Kohonen, T. Self-Organizing Map (SOM), http://www.cis.hut.fi/research/ som-research/; http://www.cis.hut.fi/research/som-research/nnrc-programs.shtml
-
Self-Organizing Map (SOM)
-
-
Kohonen, T.1
-
21
-
-
84882515814
-
-
Eisen, M. Cluster, http://rana.lbl.gov/EisenSoftware.htm
-
Cluster
-
-
Eisen, M.1
-
24
-
-
4344667602
-
-
Yan, A.X.; Gasteiger, J.; Krug, M.; Anzali, S. J. Computer-Aided Mol. Des., 2004, 18, 75.
-
(2004)
J. Computer-Aided Mol. Des.
, vol.18
, pp. 75
-
-
Yan, A.X.1
Gasteiger, J.2
Krug, M.3
Anzali, S.4
-
25
-
-
0028851251
-
-
Wagener, M.; Sadowski, J.; Gasteiger, J. J. Am. Chem. Soc., 1995, 117, 7769.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7769
-
-
Wagener, M.1
Sadowski, J.2
Gasteiger, J.3
-
26
-
-
0030278229
-
-
Bauknecht, H.; Zell, A.; Bayer, H.; Levi, P.; Wagener, M.; Sadowski, J.; Gasteiger, J. J. Chem. Inf. Comput. Sci., 1996, 36, 1205.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1205
-
-
Bauknecht, H.1
Zell, A.2
Bayer, H.3
Levi, P.4
Wagener, M.5
Sadowski, J.6
Gasteiger, J.7
-
27
-
-
0000583538
-
-
Gasteiger, J. ; Li, X.Z. ; Rudolph, C. ; Sadowski, J. ; Zupan, J. J. Am. Chem. Soc., 1994, 116, 4608.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 4608
-
-
Gasteiger, J.1
Li, X.Z.2
Rudolph, C.3
Sadowski, J.4
Zupan, J.5
-
28
-
-
0030339936
-
-
Anzali, S.; Barnickel, G.; Krug, M.; Sadowski, J.; Wagener, M.; Gasteiger, J.; Polanski, J. J. Computer-Aided Mol. Des., 1996, 10, 521.
-
(1996)
J. Computer-Aided Mol. Des.
, vol.10
, pp. 521
-
-
Anzali, S.1
Barnickel, G.2
Krug, M.3
Sadowski, J.4
Wagener, M.5
Gasteiger, J.6
Polanski, J.7
-
29
-
-
0032488450
-
-
Anzali, S.; Mederski, W.W.K.R; Osswald, M.; Dorsch, D. Bioorg. Med. Chem. Lett., 1998, 8, 11.
-
(1998)
Bioorg. Med. Chem. Lett.
, vol.8
, pp. 11
-
-
Anzali, S.1
Mederski, W.W.K.R.2
Osswald, M.3
Dorsch, D.4
-
30
-
-
0034152028
-
-
Jefford, C.W.; Grigorov, M.; Weber, J.; Luthi, H.P.; Tronchet, J.M.J. J. Chem. Inf. Comput. Sci., 2000, 40, 354.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 354
-
-
Jefford, C.W.1
Grigorov, M.2
Weber, J.3
Luthi, H.P.4
Tronchet, J.M.J.5
-
31
-
-
0034520869
-
-
Polanski, J.; Gasteiger, J.; Jarzembek, K. Comb. Chem. High Throughput Screen., 2000, 3, 481.
-
(2000)
Comb. Chem. High Throughput Screen.
, vol.3
, pp. 481
-
-
Polanski, J.1
Gasteiger, J.2
Jarzembek, K.3
-
32
-
-
0343907674
-
-
Polanski J.; Ratajczak A.; Gasteiger, J.; Galdecki, Z.; Galdecka, E. J. Mol. Struct., 1997, 407, 71.
-
(1997)
J. Mol. Struct.
, vol.407
, pp. 71
-
-
Polanski, J.1
Ratajczak, A.2
Gasteiger, J.3
Galdecki, Z.4
Galdecka, E.5
-
34
-
-
0037057562
-
-
Polanski, J.; Zouhiri, F.; Jeanson, L.; Desmaële, D.; d'Angelo, J.; Mouscadet, J.-F.; Gieleciak, R.; Gasteiger, J.; LeBret, M. J. Med. Chem., 2002, 45, 4647.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 4647
-
-
Polanski, J.1
Zouhiri, F.2
Jeanson, L.3
Desmaële, D.4
D'Angelo, J.5
Mouscadet, J.-F.6
Gieleciak, R.7
Gasteiger, J.8
LeBret, M.9
-
35
-
-
0031024171
-
-
Lipinski, C.A.; Lombardo, F.; Dominy, B.W.; Feeney, P.J. Adv. Drug Deliv. Rev., 1997, 23, 3.
-
(1997)
Adv. Drug Deliv. Rev.
, vol.23
, pp. 3
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
40
-
-
1842639233
-
-
Teckentrup, A.; Briem, H.; Gasteiger, J. J. Chem. Info. Comput. Sci., 2004, 44, 626.
-
(2004)
J. Chem. Info. Comput. Sci.
, vol.44
, pp. 626
-
-
Teckentrup, A.1
Briem, H.2
Gasteiger, J.3
-
41
-
-
0000768740
-
-
Simon, V.; Gasteiger, J.; Zupan, J. J. Am. Chem. Soc., 1993, 115, 9148.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 9148
-
-
Simon, V.1
Gasteiger, J.2
Zupan, J.3
-
42
-
-
4344698366
-
-
Guha, R.; Serra, J.R.; Jurs, P.C. J. Mol. Graph. Mod., 2004, 23, 1.
-
(2004)
J. Mol. Graph. Mod.
, vol.23
, pp. 1
-
-
Guha, R.1
Serra, J.R.2
Jurs, P.C.3
-
44
-
-
0032450993
-
-
Bernard, P.; Golbraikh, A.; Kireev, D.; Chretien, J.R.; Rozhkova, N. Analusis, 1998, 26, 333.
-
(1998)
Analusis
, vol.26
, pp. 333
-
-
Bernard, P.1
Golbraikh, A.2
Kireev, D.3
Chretien, J.R.4
Rozhkova, N.5
-
46
-
-
0043232895
-
-
Ivanenkov, Y.A.; Balakin, K.V.; Skorenko, A.V.; Tkachenko, S.E.; Savchuk, N.P.; Ivashchenko, A.A.; Nikolsky, Y. Chimica Oggi., 2003, 21, 72.
-
(2003)
Chimica Oggi.
, vol.21
, pp. 72
-
-
Ivanenkov, Y.A.1
Balakin, K.V.2
Skorenko, A.V.3
Tkachenko, S.E.4
Savchuk, N.P.5
Ivashchenko, A.A.6
Nikolsky, Y.7
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