-
3
-
-
0002606755
-
-
Walters, W.P.; Stahl, M.T.; Murcko, M.A. Drug Discov. Today, 1998, 3, 160-178.
-
(1998)
Drug Discov. Today
, vol.3
, pp. 160-178
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
4
-
-
34249092941
-
-
Seifert, M.H.; Kraus, J.; Kramer, B. Curr. Opin. Drug. Discov. Devel., 2007, 10, 298-307.
-
(2007)
Curr. Opin. Drug. Discov. Devel
, vol.10
, pp. 298-307
-
-
Seifert, M.H.1
Kraus, J.2
Kramer, B.3
-
6
-
-
33744551693
-
-
Ghosh, S.; Nie, A.; An, J.; Huang, Z. Curr. Opin. Chem. BioL., 2006, 10, 194-202.
-
(2006)
Curr. Opin. Chem. BioL
, vol.10
, pp. 194-202
-
-
Ghosh, S.1
Nie, A.2
An, J.3
Huang, Z.4
-
9
-
-
0036270224
-
-
Japertas, P.; Didziapetris, R.; Petrauskas, A. Quant. Struct.-Act. Relat., 2002, 21, 23-37.
-
(2002)
Quant. Struct.-Act. Relat
, vol.21
, pp. 23-37
-
-
Japertas, P.1
Didziapetris, R.2
Petrauskas, A.3
-
10
-
-
0037287399
-
-
Artemenko, N.V.; Baskin, I.I.; Palyulin, V.A.; Zefirov, N.S. Russ. Chem. Bull., 2003, 52, 20-29.
-
(2003)
Russ. Chem. Bull
, vol.52
, pp. 20-29
-
-
Artemenko, N.V.1
Baskin, I.I.2
Palyulin, V.A.3
Zefirov, N.S.4
-
11
-
-
0036589951
-
-
Merlot, C.; Domine, D.; Church, D.J. Curr. Opin. Drug Discov. Devel., 2002, 5, 391-399.
-
(2002)
Curr. Opin. Drug Discov. Devel
, vol.5
, pp. 391-399
-
-
Merlot, C.1
Domine, D.2
Church, D.J.3
-
12
-
-
33644520894
-
-
Varnek, A.; Fourches, D.; Hoonakker, F.; Solov'ev, V.P. J. Comput. Aided Mol. Des., 2005, 19, 693-703.
-
(2005)
J. Comput. Aided Mol. Des
, vol.19
, pp. 693-703
-
-
Varnek, A.1
Fourches, D.2
Hoonakker, F.3
Solov'ev, V.P.4
-
13
-
-
34247255912
-
-
Jelfs, S.; Ertl, P.; Selzer, P. J. Chem. Inf. Model., 2007, 47, 450-459.
-
(2007)
J. Chem. Inf. Model
, vol.47
, pp. 450-459
-
-
Jelfs, S.1
Ertl, P.2
Selzer, P.3
-
15
-
-
51349084538
-
-
Tatevskii, V.M.; Mendzheritskii, E.A.; Korobov, V. Vestnik Moskovskogo Universiteta, 1951, 6, 83-86.
-
(1951)
Vestnik Moskovskogo Universiteta
, vol.6
, pp. 83-86
-
-
Tatevskii, V.M.1
Mendzheritskii, E.A.2
Korobov, V.3
-
19
-
-
33947485697
-
-
Free, S.M., Jr.; Wilson, J.W. J. Med. Chem., 1964, 7, 395-9.
-
(1964)
J. Med. Chem
, vol.7
, pp. 395-399
-
-
Free Jr., S.M.1
Wilson, J.W.2
-
20
-
-
0015692850
-
-
Hiller, S.A.; Golender, V.E.; Rosenblit, A.B.; Rastrigin, L.A.; Glaz, A.B. Comput. Biomed. Res., 1973, 6, 411-21.
-
(1973)
Comput. Biomed. Res
, vol.6
, pp. 411-421
-
-
Hiller, S.A.1
Golender, V.E.2
Rosenblit, A.B.3
Rastrigin, L.A.4
Glaz, A.B.5
-
21
-
-
18244416361
-
-
Hiller, S.A.; Glaz, A.B.; Rastrigin, L.A.; Rosenblit, A.B. Doklady Akademii Nauk SSSR, 1971, 199, 851-853.
-
(1971)
Doklady Akademii Nauk SSSR
, vol.199
, pp. 851-853
-
-
Hiller, S.A.1
Glaz, A.B.2
Rastrigin, L.A.3
Rosenblit, A.B.4
-
24
-
-
33749286581
-
-
Piruzyan, L.A.; Avidon, V.V.; Rozenblit, A.B.; Arolovich, V.S.; Golender, V.E.; Kozlova, S.P.; Mikhailovskii, E.M.; Gavrishchuk, E.G. Khimiko-Farmatsevticheskii Zhurnal, 1977, 11, 35-40.
-
(1977)
Khimiko-Farmatsevticheskii Zhurnal
, vol.11
, pp. 35-40
-
-
Piruzyan, L.A.1
Avidon, V.V.2
Rozenblit, A.B.3
Arolovich, V.S.4
Golender, V.E.5
Kozlova, S.P.6
Mikhailovskii, E.M.7
Gavrishchuk, E.G.8
-
25
-
-
0020202996
-
-
Avidon, V.V.; Pomerantsev, I.A.; Golender, V.E.; Rozenblit, A.B. J. Chem. Inf. Comput. Sci., 1982, 22, 207-214.
-
(1982)
J. Chem. Inf. Comput. Sci
, vol.22
, pp. 207-214
-
-
Avidon, V.V.1
Pomerantsev, I.A.2
Golender, V.E.3
Rozenblit, A.B.4
-
26
-
-
0016381211
-
-
Cramer, R.D., 3rd; Redl, G.; Berkoff, C.E. J. Med. Chem., 1974, 77, 533-5.
-
(1974)
J. Med. Chem
, vol.77
, pp. 533-535
-
-
Cramer 3rd, R.D.1
Redl, G.2
Berkoff, C.E.3
-
28
-
-
0016951155
-
-
Brugger, W.E.; Stuper, A.J.; Jurs, P.C. J. Chem. Inf. Model., 1976, 16, 105-110.
-
(1976)
J. Chem. Inf. Model
, vol.16
, pp. 105-110
-
-
Brugger, W.E.1
Stuper, A.J.2
Jurs, P.C.3
-
29
-
-
0017367219
-
-
Hodes, L.; Hazard, G.F.; Geran, R.I.; Richman, S. J. Med. Chem., 1977, 20, 469-75.
-
(1977)
J. Med. Chem
, vol.20
, pp. 469-475
-
-
Hodes, L.1
Hazard, G.F.2
Geran, R.I.3
Richman, S.4
-
30
-
-
33947091728
-
-
Milne, M.; Lefkovitz, D.; Hill, H.; Powers, R. J. Chem, Doc., 1972, 12, 183-189.
-
(1972)
J. Chem, Doc
, vol.12
, pp. 183-189
-
-
Milne, M.1
Lefkovitz, D.2
Hill, H.3
Powers, R.4
-
31
-
-
0015655429
-
-
Adamson, G.W.; Cowell, J.; Lynch, M.F.; McLure, A.H. W.; Town, W.G.; Yapp, A.M. J. Chem. Doc., 1973, 13, 153-157.
-
(1973)
J. Chem. Doc
, vol.13
, pp. 153-157
-
-
Adamson, G.W.1
Cowell, J.2
Lynch, M.F.3
McLure, A.H.W.4
Town, W.G.5
Yapp, A.M.6
-
35
-
-
0002728955
-
-
Willett, P.; Winterman, V.; Bawden, D. J. Chem. Inf. Model., 1986, 26, 36-41.
-
(1986)
J. Chem. Inf. Model
, vol.26
, pp. 36-41
-
-
Willett, P.1
Winterman, V.2
Bawden, D.3
-
36
-
-
0028194401
-
-
Fisanick, W.; Lipkus, A.H.; Rusinko, A. J. Chem. Inf. Model., 1994, 34, 130-140.
-
(1994)
J. Chem. Inf. Model
, vol.34
, pp. 130-140
-
-
Fisanick, W.1
Lipkus, A.H.2
Rusinko, A.3
-
39
-
-
0002647926
-
-
Turner, D.B.; Tyrrell, S.M.; Willett, P. J. Chem. Inf. Model., 1997, 37, 18-22.
-
(1997)
J. Chem. Inf. Model
, vol.37
, pp. 18-22
-
-
Turner, D.B.1
Tyrrell, S.M.2
Willett, P.3
-
40
-
-
0036827075
-
-
Durant, J.L.; Leland, B.A.; Henry, D.R.; Nourse, J.G. J. Chem. Inf. Comput. Sci., 2002, 42, 1273-1280.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, pp. 1273-1280
-
-
Durant, J.L.1
Leland, B.A.2
Henry, D.R.3
Nourse, J.G.4
-
41
-
-
0032109698
-
-
Tong, W.; Lowis, D.R.; Perkins, R.; Chen, Y.; Welsh, W.J.; Goddette, D.W.; Heritage, T.W.; Sheehan, D.M. J. Chem. Inf. Model., 1998, 38, 669-677.
-
(1998)
J. Chem. Inf. Model
, vol.38
, pp. 669-677
-
-
Tong, W.1
Lowis, D.R.2
Perkins, R.3
Chen, Y.4
Welsh, W.J.5
Goddette, D.W.6
Heritage, T.W.7
Sheehan, D.M.8
-
43
-
-
0035497866
-
-
Artemenko, N.V.; Baskin, I.I.; Palyulin, V.A.; Zefirov, N.S. Doklady Chemistry., 2001, 381, 317-320.
-
(2001)
Doklady Chemistry
, vol.381
, pp. 317-320
-
-
Artemenko, N.V.1
Baskin, I.I.2
Palyulin, V.A.3
Zefirov, N.S.4
-
44
-
-
37049131942
-
-
Adamson, G.W.; Lynch, M.F.; Town, W.G. J. Chem. Soc., C, 1971, 3702-3706.
-
(1971)
J. Chem. Soc., C
, pp. 3702-3706
-
-
Adamson, G.W.1
Lynch, M.F.2
Town, W.G.3
-
46
-
-
0034320172
-
-
Poroikov, V.V.; Filimonov, D.A.; Borodina, Y.V.; Lagunin, A.A.; Kos, A. J. Chem. Inf. Comput. Sci., 2000, 40, 1349-1355.
-
(2000)
J. Chem. Inf. Comput. Sci
, vol.40
, pp. 1349-1355
-
-
Poroikov, V.V.1
Filimonov, D.A.2
Borodina, Y.V.3
Lagunin, A.A.4
Kos, A.5
-
47
-
-
0000992784
-
-
Filimonov, D.; Poroikov, V.; Borodina, Y.; Gloriozova, T. J. Chem. Inf. Comput. Sci., 1999, 39, 666-670.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 666-670
-
-
Filimonov, D.1
Poroikov, V.2
Borodina, Y.3
Gloriozova, T.4
-
49
-
-
1842690601
-
-
Bender, A.; Mussa, H.Y.; Glen, R.C.; Reiling, S. J. Chem. Inf. Comput. Sci., 2004, 44, 170-178.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 170-178
-
-
Bender, A.1
Mussa, H.Y.2
Glen, R.C.3
Reiling, S.4
-
50
-
-
5544290537
-
-
Bender, A.; Mussa, H.Y.; Glen, R.C; Reiling, S. J. Chem. Inf. Comput. Sci., 2004, 44, 1708-1718.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1708-1718
-
-
Bender, A.1
Mussa, H.Y.2
Glen, R.C.3
Reiling, S.4
-
51
-
-
33644963750
-
-
Glen, R.C.; Bender, A.; Arnby, C.H.; Carlsson, L.; Boyer, S.; Smith, J. Drugs, 2006, 9, 199-204.
-
(2006)
Drugs
, vol.9
, pp. 199-204
-
-
Glen, R.C.1
Bender, A.2
Arnby, C.H.3
Carlsson, L.4
Boyer, S.5
Smith, J.6
-
52
-
-
33646252229
-
-
Rodgers, S.; Glen, R.C.; Bender, A. J. Chem. Inf. Model., 2006, 46, 569-576.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 569-576
-
-
Rodgers, S.1
Glen, R.C.2
Bender, A.3
-
53
-
-
34247386376
-
-
Cannon, E.O.; Amini, A.; Bender, A.; Sternberg, M.J.E.; Muggleton, S.H.; Glen, R.C.; Mitchell, J.B.O. J. Comput. Aid. Mol. Des., 2007, 27, 269-280.
-
(2007)
J. Comput. Aid. Mol. Des
, vol.27
, pp. 269-280
-
-
Cannon, E.O.1
Amini, A.2
Bender, A.3
Sternberg, M.J.E.4
Muggleton, S.H.5
Glen, R.C.6
Mitchell, J.B.O.7
-
54
-
-
0038579386
-
-
Faulon, J.-L.; Visco, D.P., Jr.; Pophale, R.S. J. Chem. Inf. Comput. Sci., 2003, 43, 707-720.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 707-720
-
-
Faulon, J.-L.1
Visco Jr., D.P.2
Pophale, R.S.3
-
55
-
-
0038173400
-
-
Faulon, J.-L.; Churchwell, C.J.; Visco, D.P., Jr. J. Chem. Inf. Comput. Sci., 2003, 43, 721-734.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 721-734
-
-
Faulon, J.-L.1
Churchwell, C.J.2
Visco Jr., D.P.3
-
56
-
-
0842332242
-
-
Churchwell, C.J.; Rintoul, M.D.; Martin, S.; Visco, D.P., Jr.; Kotu, A.; Larson, R. S.; Sillerud, L.O.; Brown, D.C.; Faulon, J.L. J. Mol Graph. Model., 2004, 22, 263-73.
-
(2004)
J. Mol Graph. Model
, vol.22
, pp. 263-273
-
-
Churchwell, C.J.1
Rintoul, M.D.2
Martin, S.3
Visco Jr., D.P.4
Kotu, A.5
Larson, R.S.6
Sillerud, L.O.7
Brown, D.C.8
Faulon, J.L.9
-
58
-
-
33845379303
-
-
Carhart, R.E.; Smith, D.H.; Venkataraghavan, R. J. Chem. Inf. Comput. Sci., 1985, 25, 64-73.
-
(1985)
J. Chem. Inf. Comput. Sci
, vol.25
, pp. 64-73
-
-
Carhart, R.E.1
Smith, D.H.2
Venkataraghavan, R.3
-
59
-
-
0002123285
-
-
Ghose, A, Viswanadhan, V, Eds, Marcel Dekker: New York
-
Horvath, D. In Combinatorial Library Design and Evaluation: Principles, Software Tools and Applications; Ghose, A., Viswanadhan, V., Eds.; Marcel Dekker: New York, 2001, p 429-472.
-
(2001)
Combinatorial Library Design and Evaluation: Principles, Software Tools and Applications
, pp. 429-472
-
-
Horvath, D.1
-
61
-
-
33845791138
-
-
Bonachera, F.; Parent, B.; Barbosa, F.; Froloff, N; Horvath, D. J. Chem. Inf. Model., 2006, 46, 2457-2477.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 2457-2477
-
-
Bonachera, F.1
Parent, B.2
Barbosa, F.3
Froloff, N.4
Horvath, D.5
-
62
-
-
0038170311
-
-
Schuffenhauer, A.; Floersheim, P.; Acklin, P.; Jacoby, E. J. Chem. Inf. Comput. Sci., 2003, 43, 391-405.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 391-405
-
-
Schuffenhauer, A.1
Floersheim, P.2
Acklin, P.3
Jacoby, E.4
-
63
-
-
0004313709
-
-
MOE, Chemical Computing Group Inc, Montreal, Canada
-
MOE, Molecular Operating Environment, Chemical Computing Group Inc., Montreal, Canada, www.chemcomp.com.
-
Molecular Operating Environment
-
-
-
64
-
-
27444433232
-
-
Franke, L.; Byvatov, E.; Werz, O.; Steinhilber, D.; Schneider, P.; Schneider, G. J. Med. Chem., 2005, 48, 6997-7004.
-
(2005)
J. Med. Chem
, vol.48
, pp. 6997-7004
-
-
Franke, L.1
Byvatov, E.2
Werz, O.3
Steinhilber, D.4
Schneider, P.5
Schneider, G.6
-
65
-
-
20444502203
-
-
Byvatov, E.; Sasse, B.C.; Stark, H.; Schneider, G. ChemBioChem., 2005, 6, 997-9.
-
(2005)
ChemBioChem
, vol.6
, pp. 997-999
-
-
Byvatov, E.1
Sasse, B.C.2
Stark, H.3
Schneider, G.4
-
66
-
-
0003076470
-
-
Nilakantan, R.; Bauman, N.; Dixon, J.S.; Venkataraghavan, R. J. Chem. Inf. Comput. Sci., 1987, 27, 82-85.
-
(1987)
J. Chem. Inf. Comput. Sci
, vol.27
, pp. 82-85
-
-
Nilakantan, R.1
Bauman, N.2
Dixon, J.S.3
Venkataraghavan, R.4
-
67
-
-
0001577643
-
-
Kearsley, S.K.; Sallamack, S.; Fluder, E.M.; Andose, J.D.; Mosley, R.T.; Sheridan, R.P. J. Chem. Inf. Comput. Sci., 1996, 36, 118-27.
-
(1996)
J. Chem. Inf. Comput. Sci
, vol.36
, pp. 118-127
-
-
Kearsley, S.K.1
Sallamack, S.2
Fluder, E.M.3
Andose, J.D.4
Mosley, R.T.5
Sheridan, R.P.6
-
72
-
-
0033218386
-
-
Wang, J.; Lai, L.; Tang, Y. J. Chem. Inf. Comput. Sci., 1999, 39, 1173-1189.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 1173-1189
-
-
Wang, J.1
Lai, L.2
Tang, Y.3
-
73
-
-
12144257810
-
-
Kazius, J.; McGuire, R.; Bursi, R. J. Med. Chem., 2005, 48, 312-20.
-
(2005)
J. Med. Chem
, vol.48
, pp. 312-320
-
-
Kazius, J.1
McGuire, R.2
Bursi, R.3
-
74
-
-
0032574331
-
-
Cunningham, A.R.; Rosenkranz, H.S.; Zhang, Y.P.; Klopman, G. Mutat. Res., 1998, 398, 1-17.
-
(1998)
Mutat. Res
, vol.398
, pp. 1-17
-
-
Cunningham, A.R.1
Rosenkranz, H.S.2
Zhang, Y.P.3
Klopman, G.4
-
75
-
-
0021529312
-
-
Klopman, G. J. Am, Chem, Soc., 1984, 106, 7315-21.
-
(1984)
J. Am, Chem, Soc
, vol.106
, pp. 7315-7321
-
-
Klopman, G.1
-
77
-
-
0022273885
-
-
Rosenkranz, H.S.; Mitchell, C.S.; Klopman, G. Mutat. Res., 1985, 150, 1-11.
-
(1985)
Mutat. Res
, vol.150
, pp. 1-11
-
-
Rosenkranz, H.S.1
Mitchell, C.S.2
Klopman, G.3
-
80
-
-
0041766208
-
-
Klopman, G.; Chakravarti, S.K.; Harris, N.; Ivanov, J.; Saiakhov, R.D. SAR QSAR Environ, Res., 2003, 14, 165-180.
-
(2003)
SAR QSAR Environ, Res
, vol.14
, pp. 165-180
-
-
Klopman, G.1
Chakravarti, S.K.2
Harris, N.3
Ivanov, J.4
Saiakhov, R.D.5
-
82
-
-
0026007102
-
-
Gombar, V.K.; Enslein, K.; Hart, J.B.; Blake, B.W.; Borgstedt, H.H. Risk Anal., 1991, 11, 509-17.
-
(1991)
Risk Anal
, vol.11
, pp. 509-517
-
-
Gombar, V.K.1
Enslein, K.2
Hart, J.B.3
Blake, B.W.4
Borgstedt, H.H.5
-
86
-
-
0035289779
-
-
Lipinski, C.A.; Lombardo, F.; Dominy, B.W.; Feeney, P.J. Adv. Drug Deliv. Rev., 2001, 46, 3-26.
-
(2001)
Adv. Drug Deliv. Rev
, vol.46
, pp. 3-26
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
88
-
-
0037030653
-
-
Veber, D.F.; Johnson, S.R.; Cheng, H.Y.; Smith, B.R.; Ward, K.W.; Kopple, K.D. J. Med. Chem., 2002, 45, 2615-23.
-
(2002)
J. Med. Chem
, vol.45
, pp. 2615-2623
-
-
Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
90
-
-
24544469216
-
-
Leo, A.J. Chem. Rev., 1993, 93, 1281-1306.
-
(1993)
Chem. Rev
, vol.93
, pp. 1281-1306
-
-
Leo, A.J.1
-
91
-
-
84890966006
-
-
Tetko, I.V.; Livingstone, D.J. In Comprehensive Medicinal Chemistry II: In silico tools in ADMET; Testa, B., van de Waterbeemd, H., Eds.; Elsevier: 2006, 5, 649-668.
-
Tetko, I.V.; Livingstone, D.J. In Comprehensive Medicinal Chemistry II: In silico tools in ADMET; Testa, B., van de Waterbeemd, H., Eds.; Elsevier: 2006, 5, 649-668.
-
-
-
-
93
-
-
0037068532
-
-
Martin, Y.C.; Kofron, J.L.; Traphagen, L.M. J. Med. Chem., 2002, 45, 4350-8.
-
(2002)
J. Med. Chem
, vol.45
, pp. 4350-4358
-
-
Martin, Y.C.1
Kofron, J.L.2
Traphagen, L.M.3
-
94
-
-
51349117700
-
-
Daylight Chemical Information Systems Inc
-
Daylight Chemical Information Systems Inc., http://www.daylight.com.
-
-
-
-
95
-
-
51349100314
-
-
Barnard Chemical Information Ltd
-
Barnard Chemical Information Ltd., http://www.bci.gb.com/.
-
-
-
-
96
-
-
51349087180
-
-
Tripos Inc., http://www.tripos.com.
-
-
-
-
100
-
-
0033523672
-
-
Schneider, G.; Neidhart, W.; Giller, T.; Schmid, G. Angew. Chem. Int. Ed., 1999, 38, 2894-2896.
-
(1999)
Angew. Chem. Int. Ed
, vol.38
, pp. 2894-2896
-
-
Schneider, G.1
Neidhart, W.2
Giller, T.3
Schmid, G.4
-
101
-
-
0035848571
-
-
Hull, R.D.; Singh, S.B.; Nachbar, R.B.; Sheridan, R.P.; Kearsley, S.K.; Fluder, E. M. J. Med. Chem., 2001, 44, 1177-84.
-
(2001)
J. Med. Chem
, vol.44
, pp. 1177-1184
-
-
Hull, R.D.1
Singh, S.B.2
Nachbar, R.B.3
Sheridan, R.P.4
Kearsley, S.K.5
Fluder, E.M.6
-
102
-
-
0035848576
-
-
Hull, R.D.; Fluder, E.M.; Singh, S.B.; Nachbar, R.B.; Kearsley, S.K.; Sheridan, R. P. J. Med. Chem., 2001, 44, 1185-91.
-
(2001)
J. Med. Chem
, vol.44
, pp. 1185-1191
-
-
Hull, R.D.1
Fluder, E.M.2
Singh, S.B.3
Nachbar, R.B.4
Kearsley, S.K.5
Sheridan, R.P.6
-
103
-
-
5344244908
-
-
Willett, P.; Barnard, J.M.; Downs, G.M. J. Chem. Inf. Comput. Sci., 1998, 38, 983-996.
-
(1998)
J. Chem. Inf. Comput. Sci
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
104
-
-
2942700377
-
-
Hert, J.; Willett, P.; Wilton, D.J.; Acklin, P.; Azzaoui, K.; Jacoby, E.; Schuffenhauer, A. J. Chem. Inf. Comput. Sci., 2004, 44, 1177-1185.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1177-1185
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
105
-
-
0024375788
-
-
Ormerod, A.; Willett, P.; Bawden, D. Quant. Struct.-Act. Relat., 1989, 8, 115-29.
-
(1989)
Quant. Struct.-Act. Relat
, vol.8
, pp. 115-129
-
-
Ormerod, A.1
Willett, P.2
Bawden, D.3
-
106
-
-
1842679452
-
-
Godden, J.W.; Furr, J.R.; Xue, L.; Stahura, F.L.; Bajorath, J. J. Chem. Inf. Comput. Sci., 2004, 44, 21-29.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 21-29
-
-
Godden, J.W.1
Furr, J.R.2
Xue, L.3
Stahura, F.L.4
Bajorath, J.5
-
107
-
-
7444270927
-
-
Godden, J.W.; Stahura, F.L.; Bajorath, J. J. Med. Chem., 2004, 47, 5608-11.
-
(2004)
J. Med. Chem
, vol.47
, pp. 5608-5611
-
-
Godden, J.W.1
Stahura, F.L.2
Bajorath, J.3
-
108
-
-
33750381015
-
-
Batista, J.; Godden, J.W.; Bajorath, J. J. Chem. Inf. Model., 2006, 46, 1937-44.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 1937-1944
-
-
Batista, J.1
Godden, J.W.2
Bajorath, J.3
-
111
-
-
30844443282
-
-
Maldonado, A.G.; Doucet, J.P.; Petitjean, M.; Fan, B.T. 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
-
114
-
-
0032234687
-
-
Agrafiotis, D.K.; Myslik, J.C.; Salemme, F.R. Mol. Divers., 1998, 4, 1-22.
-
(1998)
Mol. Divers
, vol.4
, pp. 1-22
-
-
Agrafiotis, D.K.1
Myslik, J.C.2
Salemme, F.R.3
-
115
-
-
0036522798
-
-
Trepalin, S.V.; Gerasimenko, V.A.; Kozyukov, A.V.; Savchuk, N. P.; Ivaschenko, A.A. J. Chem. Inf. Comput. Sci., 2002, 42, 249-58.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, pp. 249-258
-
-
Trepalin, S.V.1
Gerasimenko, V.A.2
Kozyukov, A.V.3
Savchuk, N.P.4
Ivaschenko, A.A.5
-
116
-
-
0035438388
-
-
Harper, G.; Bradshaw, J.; Gittins, J.C.; Green, D.V.S.; Leach, A.R. J. Chem. Inf. Comput. Sci., 2001, 41, 1295-1300.
-
(2001)
J. Chem. Inf. Comput. Sci
, vol.41
, pp. 1295-1300
-
-
Harper, G.1
Bradshaw, J.2
Gittins, J.C.3
Green, D.V.S.4
Leach, A.R.5
-
117
-
-
2442652804
-
-
Geronikaki, A.A.; Dearden, J.C.; Filimonov, D.; Galaeva, I.; Garibova, T.L.; Gloriozova, T.; Krajneva, V.; Lagunin, A.; Macaev, F.Z.; Molodavkin, G.; Poroikov, V.V.; Pogrebnoi, S.I.; Shepeli, F.; Voronina, T.A.; Tsitlakidou, M.; Vlad, L. J. Med. Chem., 2004, 47, 2870-6.
-
(2004)
J. Med. Chem
, vol.47
, pp. 2870-2876
-
-
Geronikaki, A.A.1
Dearden, J.C.2
Filimonov, D.3
Galaeva, I.4
Garibova, T.L.5
Gloriozova, T.6
Krajneva, V.7
Lagunin, A.8
Macaev, F.Z.9
Molodavkin, G.10
Poroikov, V.V.11
Pogrebnoi, S.I.12
Shepeli, F.13
Voronina, T.A.14
Tsitlakidou, M.15
Vlad, L.16
-
118
-
-
33646864083
-
-
Katritzky, A.R.; Kuanar, M.; Slavov, S.; Dobchev, D.A.; Fara, D.C.; Karelson, M.; Acree, W.E., Jr.; Solov'ev, V.P.; Varnek, A. Bioorg. Med. Chem., 2006, 14, 4888-917.
-
(2006)
Bioorg. Med. Chem
, vol.14
, pp. 4888-4917
-
-
Katritzky, A.R.1
Kuanar, M.2
Slavov, S.3
Dobchev, D.A.4
Fara, D.C.5
Karelson, M.6
Acree Jr., W.E.7
Solov'ev, V.P.8
Varnek, A.9
-
119
-
-
33744824393
-
-
Katritzky, A.R.; Dobchev, D.A.; Fara, D.C.; Hur, E.; Tamm, K.; Kurunczi, L.; Karelson, M.; Varnek, A.; Solov'ev, V.P. J. Med. Chem., 2006, 49, 3305-14.
-
(2006)
J. Med. Chem
, vol.49
, pp. 3305-3314
-
-
Katritzky, A.R.1
Dobchev, D.A.2
Fara, D.C.3
Hur, E.4
Tamm, K.5
Kurunczi, L.6
Karelson, M.7
Varnek, A.8
Solov'ev, V.P.9
-
120
-
-
27544441230
-
-
Katritzky, A.R.; Kuanar, M.; Fara, D.C.; Karelson, M.; Acree, W.E., Jr.; Solov'ev, V.P.; Varnek, A. Bioorg. Med. Chem., 2005, 13, 6450-63.
-
(2005)
Bioorg. Med. Chem
, vol.13
, pp. 6450-6463
-
-
Katritzky, A.R.1
Kuanar, M.2
Fara, D.C.3
Karelson, M.4
Acree Jr., W.E.5
Solov'ev, V.P.6
Varnek, A.7
-
121
-
-
0028826055
-
-
Mannhold, R.; Rekker, R.F.; Sonntag, C.; ter Laak, A.M.; Dross, K.; Polymeropoulos, E.E. J. Pharm. Sci., 1995, 84, 1410-9.
-
(1995)
J. Pharm. Sci
, vol.84
, pp. 1410-1419
-
-
Mannhold, R.1
Rekker, R.F.2
Sonntag, C.3
ter Laak, A.M.4
Dross, K.5
Polymeropoulos, E.E.6
-
123
-
-
0016721416
-
-
Leo, A.; Jow, P.Y.C.; Silipo, C.; Hansch, C. J. Med. Chem., 1975, 18, 865-868.
-
(1975)
J. Med. Chem
, vol.18
, pp. 865-868
-
-
Leo, A.1
Jow, P.Y.C.2
Silipo, C.3
Hansch, C.4
-
126
-
-
84911792416
-
-
Ghose, A.K; Pritchett, A.; Crippen, G.M. J. Comput. Chem., 1988, 9, 80-90.
-
(1988)
J. Comput. Chem
, vol.9
, pp. 80-90
-
-
Ghose, A.K.1
Pritchett, A.2
Crippen, G.M.3
-
129
-
-
0028345735
-
-
Convard, T.; Dubost, J.-P.; Le Solleu, H.; Kummer, E. Quant. Struct.-Act. Relat., 1994, 13, 34-37.
-
(1994)
Quant. Struct.-Act. Relat
, vol.13
, pp. 34-37
-
-
Convard, T.1
Dubost, J.-P.2
Le Solleu, H.3
Kummer, E.4
-
130
-
-
0033820007
-
-
Wang, R.; Gao, Y.; Lai, L. Persp. Drug Discov. Design., 2000, 19, 47-66.
-
(2000)
Persp. Drug Discov. Design
, vol.19
, pp. 47-66
-
-
Wang, R.1
Gao, Y.2
Lai, L.3
-
131
-
-
0000262640
-
-
Wang, R.; Fu, Y.; Lai, L. J. Chem. Inf. Comput. Sci., 1997, 37, 615-621.
-
(1997)
J. Chem. Inf. Comput. Sci
, vol.37
, pp. 615-621
-
-
Wang, R.1
Fu, Y.2
Lai, L.3
-
132
-
-
33645466603
-
-
Balakin, K.V.; Savchuk, N.P.; Tetko, I.V. Curr. Med. Chem., 2006, 13, 223-41.
-
(2006)
Curr. Med. Chem
, vol.13
, pp. 223-241
-
-
Balakin, K.V.1
Savchuk, N.P.2
Tetko, I.V.3
-
133
-
-
34250873988
-
-
Varnek, A.; Kireeva, N.; Tetko, I.V.; Baskin, II; Solov'ev, V.P. J. Chem. Inf. Model., 2007, 47, 1111-22.
-
(2007)
J. Chem. Inf. Model
, vol.47
, pp. 1111-1122
-
-
Varnek, A.1
Kireeva, N.2
Tetko, I.V.3
Baskin II4
Solov'ev, V.P.5
-
134
-
-
23844556595
-
-
Feuston, B.P.; Chakravorty, S.J.; Conway, J.F.; Culberson, J.C.; Forbes, J.; Kraker, B.; Lennon, P.A.; Lindsley, C.; McGaughey, G.B.; Mosley, R.; Sheridan, R.P.; Valenciano, M.; Kearsley, S.K. Curr. Top. Med. Chem., 2005, 5, 773-83.
-
(2005)
Curr. Top. Med. Chem
, vol.5
, pp. 773-783
-
-
Feuston, B.P.1
Chakravorty, S.J.2
Conway, J.F.3
Culberson, J.C.4
Forbes, J.5
Kraker, B.6
Lennon, P.A.7
Lindsley, C.8
McGaughey, G.B.9
Mosley, R.10
Sheridan, R.P.11
Valenciano, M.12
Kearsley, S.K.13
-
137
-
-
4043140704
-
-
Varnek, A.; Fourches, D.; Solov'ev, V.P.; Baulin, V.E.; Turanov, A.N.; Karandashev, V.K.; Fara, D.; Katritzky, A.R. J. Chem. Inf. Comput. Sci., 2004, 44, 1365-1382.
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1365-1382
-
-
Varnek, A.1
Fourches, D.2
Solov'ev, V.P.3
Baulin, V.E.4
Turanov, A.N.5
Karandashev, V.K.6
Fara, D.7
Katritzky, A.R.8
-
138
-
-
34447321051
-
-
Varnek, A.; Fourches, D.; Solov'ev, V.; Klimchuk, O.; Ouadi, A.; Billard, I. Solvent Extraction and Ion Exchange., 2007, 25, 433-462.
-
(2007)
Solvent Extraction and Ion Exchange
, vol.25
, pp. 433-462
-
-
Varnek, A.1
Fourches, D.2
Solov'ev, V.3
Klimchuk, O.4
Ouadi, A.5
Billard, I.6
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