-
3
-
-
0031024171
-
-
Lipinski, G. A.; Lombardo, E; Dominy, B. W; Feeney, R J. Adv. Drug Deliv. Rev. 1997, 23, 3-25.
-
(1997)
Adv. Drug Deliv. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, G.A.1
Lombardo, E.2
Dominy, B.W.3
Feeney, R.J.4
-
6
-
-
0037030653
-
-
Veber, D. E; Johnson, S. R.; Cheng, H.-Y; Smith, B. R.; Ward, K. W; Kopple, K. D. J. Med. Chem. 2002, 45, 2615-2623.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2615-2623
-
-
Veber, D.E.1
Johnson, S.R.2
Cheng, H.-Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
-
8
-
-
0035438391
-
-
Oprea, T I.; Davis, A. M.; Teague, S. J.; Leeson, P D. J. Chem. Inf. Comp. Sei. 2001, 41, 1308-1315.
-
(2001)
J. Chem. Inf. Comp. Sei.
, vol.41
, pp. 1308-1315
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.J.3
Leeson, P.D.4
-
12
-
-
0033576601
-
-
Teague, S. J.; Davis, A. M.; Leeson, P D.; Oprea, T. Angew. Chem. Int. Ed. Engl. 1999, 38, 3743-3748.
-
(1999)
Angew. Chem. Int. Ed. Engl.
, vol.38
, pp. 3743-3748
-
-
Teague, S.J.1
Davis, A.M.2
Leeson, P.D.3
Oprea, T.4
-
13
-
-
0035324944
-
-
Hann, M. M.; Leach, A. R.; Harper, G. J. Chem. Inf. Comp. Sei. 2001, 41, 856-864.
-
(2001)
J. Chem. Inf. Comp. Sei.
, vol.41
, pp. 856-864
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
15
-
-
19944422452
-
-
Jacoby, E.; Schuffenhauer, A.; Popov, M.; Azzaoui, K.; Havill, B.; Schöpfer, U.; Engeloch, C.; Stanek, J.; Acklin, P.; Rigollier, R et al. Curr. Topics Med. Chem. 2005, 5, 397-411.
-
(2005)
Curr. Topics Med. Chem.
, vol.5
, pp. 397-411
-
-
Jacoby, E.1
Schuffenhauer, A.2
Popov, M.3
Azzaoui, K.4
Havill, B.5
Schöpfer, U.6
Engeloch, C.7
Stanek, J.8
Acklin, P.9
Rigollier, R.10
-
18
-
-
84971487341
-
Computational Chemistry Molecular Complexity Screening Set Design.
-
In, Oprea, T, Ed.; Wiley-VCH: New York
-
Hann, M. M.; Leach, A. R.; Green, D. V S. Computational Chemistry, Molecular Complexity and Screening Set Design. In Chemoinformatics in Drug Discovery; Oprea, T, Ed.; Wiley-VCH: New York, 2005.
-
(2005)
Chemoinformatics in Drug Discovery;
-
-
Hann, M.M.1
Leach, A.R.2
Green, D.V.S.3
-
19
-
-
16244388286
-
-
Fink, T; Bruggesser, H.; Reymond, J.-L. Angew. Chem. Int. Ed. 2005, 44, 1504-1508.
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 1504-1508
-
-
Fink, T.1
Bruggesser, H.2
Reymond, J.-L.3
-
20
-
-
0021745755
-
-
Andrews, P R.; Graik, D. J.; Martin, J. L. J. Med. Chem. 1984, 21, 1648-1657.
-
(1984)
J. Med. Chem.
, vol.21
, pp. 1648-1657
-
-
Andrews, P.R.1
Graik, D.J.2
Martin, J.L.3
-
21
-
-
0033621044
-
-
Kuntz, I. D.; Chen, K.; Sharp, K. A.; Kollman, R A. Proc. Natl. Acad. Sei. USA 1999, 99, 9997-10002.
-
(1999)
Proc. Natl. Acad. Sei. USA
, vol.99
, pp. 9997-10002
-
-
Kuntz, I.D.1
Chen, K.2
Sharp, K.A.3
Kollman, R.A.4
-
22
-
-
1942453243
-
-
Hopkins, A. L.; Groom, G. R.; Alex, A. Drug Disc. Today 2004, 9, 430-431.
-
(2004)
Drug Disc. Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
Groom, G.R.2
Alex, A.3
-
29
-
-
4344592378
-
-
Rees, D. G.; Congreve, M.; Murray, G. W; Carr, R. Nat. Rev. Drug Disc. 2004, 3, 660-672.
-
(2004)
Nat. Rev. Drug Disc.
, vol.3
, pp. 660-672
-
-
Rees, D.G.1
Congreve, M.2
Murray, G.W.3
Carr, R.4
-
30
-
-
0141792701
-
-
McGovern, S. L.; Helfand, B. T; Feng, B.; Shoichet, B. K. J. Med. Chem. 2003, 46, 4265-4272.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 4265-4272
-
-
McGovern, S.L.1
Helfand, B.T.2
Feng, B.3
Shoichet, B.K.4
-
32
-
-
0037030686
-
-
Lesuisse, D.; Lange, G.; Deprez, P.; Bénard, D.; Schoot, B.; Delettre, G.; Marquette, J.-P; Broto, P.; Jean-Baptiste, V; Bichet, P. et al. J. Med. Chem. 2002, 45, 2379-2387.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2379-2387
-
-
Lesuisse, D.1
Lange, G.2
Deprez, P.3
Bénard, D.4
Schoot, B.5
Delettre, G.6
Marquette, J.-P.7
Broto, P.8
Jean-Baptiste, V.9
Bichet, P.10
-
33
-
-
16944365890
-
-
Hajduk, P. J.; Sheppard, G.; Nettesheim, D. G.; Olejniczak, E. T; Shuker, S. B.; Meadows, R. P.; Steinman, D. H.; Carrera, G. M.; Marcotte, P A.; Severin, J. et al. J. Am. Chem. Soc. 1997, 119, 5818-5827.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5818-5827
-
-
Hajduk, P.J.1
Sheppard, G.2
Nettesheim, D.G.3
Olejniczak, E.T.4
Shuker, S.B.5
Meadows, R.P.6
Steinman, D.H.7
Carrera, G.M.8
Marcotte, P.A.9
Severin, J.10
-
34
-
-
0035253553
-
-
Moy, E J.; Haraki, K.; Mobilio, D.; Walker, G.; Powers, R.; Tabei, K.; Tong, H.; Siegel, M. M. Anal. Chem. 2001, 73, 571-581.
-
(2001)
Anal. Chem.
, vol.73
, pp. 571-581
-
-
Moy, E.J.1
Haraki, K.2
Mobilio, D.3
Walker, G.4
Powers, R.5
Tabei, K.6
Tong, H.7
Siegel, M.M.8
-
37
-
-
0141726877
-
-
Congreve, M.; Garr, R.; Murray, G.; Jhoti, H. Drug Disc. Today 2003, 8, 876-877.
-
(2003)
Drug Disc. Today
, vol.8
, pp. 876-877
-
-
Congreve, M.1
Garr, R.2
Murray, G.3
Jhoti, H.4
-
38
-
-
0034646370
-
-
Maly, D. J.; Ghoong, I. G.; Ellman, J. A. Proc. Natl. Acad. Sei. USA 2000, 97, 2419-2424.
-
(2000)
Proc. Natl. Acad. Sei. USA
, vol.97
, pp. 2419-2424
-
-
Maly, D.J.1
Ghoong, I.G.2
Ellman, J.A.3
-
41
-
-
0032058905
-
-
Leweil, X.-Q.; Judd, D. B.; Watson, S. P; Hann, M. M. J. Chem. Inf. Comp. Sei. 1998, 38, 511-522.
-
(1998)
J. Chem. Inf. Comp. Sei.
, vol.38
, pp. 511-522
-
-
Leweil, X.-Q.1
Judd, D.B.2
Watson, S.P.3
Hann, M.M.4
-
42
-
-
0034263171
-
-
Leach, A. R.; Green, D. V S.; Hann, M. M.; Judd, D. B.; Good, A. G. J. Chem. Inf. Comp. Sei. 2000, 40, 1262-1269.
-
(2000)
J. Chem. Inf. Comp. Sei.
, vol.40
, pp. 1262-1269
-
-
Leach, A.R.1
Green, D.V.S.2
Hann, M.M.3
Judd, D.B.4
Good, A.G.5
-
43
-
-
12344318177
-
-
Hartshorn, M. J.; Murray, G. W; Gleasby, A.; Frederickson, M.; Tickle, I. J.; Jhoti, H. J. Med. Chem. 2004, 48, 403-413.
-
(2004)
J. Med. Chem.
, vol.48
, pp. 403-413
-
-
Hartshorn, M.J.1
Murray, G.W.2
Gleasby, A.3
Frederickson, M.4
Tickle, I.J.5
Jhoti, H.6
-
44
-
-
10044246303
-
-
Baurin, N.; Aboul-Ela, E; Barril, X.; Davis, B.; Drysdale, M.; Dymock, B.; Finch, EI.; Fromonc, G.; Richardson, G.; Simmonice, El. ec al../. Chem. Inf. Comput. Sä. 2004, 44, 2157-2166.
-
(2004)
Chem. Inf. Comput. Sä.
, vol.44
, pp. 2157-2166
-
-
Baurin, N.1
Aboul-Ela, E.2
Barril, X.3
Davis, B.4
Drysdale, M.5
Dymock, B.6
Finch, E.7
Fromonc, G.8
Richardson, G.9
Simmonice, E.10
-
48
-
-
1642288258
-
-
Boehm, H.-J.; Boehringer, M.; Bur, D.; Gmuended, H.; Huber, W; Klaus, W; Kostrewa, D.; Kuehne, H.; Luebbers, T.; Muenier-Keller, N. et al. J. Med. Chem. 2000, 43, 2664-2674.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2664-2674
-
-
Boehm, H.-J.1
Boehringer, M.2
Bur, D.3
Gmuended, H.4
Huber, W.5
Klaus, W.6
Kostrewa, D.7
Kuehne, H.8
Luebbers, T.9
Muenier-Keller, N.10
-
49
-
-
20944443643
-
-
Black, E.; Breed, J.; Breeze, A. L.; Embrey, Κ.; Garcia, R.; Gero, T W; Godfrey, L.; Kenny, P. W; Morley, A. D.; Minshull, G. A. et al. Bioorg. Med. Chem. Lett. 2005, 75, 2503-2507.
-
(2005)
Bioorg. Med. Chem. Lett.
, vol.75
, pp. 2503-2507
-
-
Black, E.1
Breed, J.2
Breeze, A.L.3
Embrey, K.4
Garcia, R.5
Gero, T.W.6
Godfrey, L.7
Kenny, P.W.8
Morley, A.D.9
Minshull, G.A.10
-
50
-
-
0029836953
-
-
Shuker, S. B.; Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Science 1996, 214, 1531-1534.
-
(1996)
Science
, vol.214
, pp. 1531-1534
-
-
Shuker, S.B.1
Hajduk, P.J.2
Meadows, R.P.3
Fesik, S.W.4
-
52
-
-
0032571491
-
-
Conti, E.; Rivetti, C.; Wonacott, A.; Brick, P. FEES Lett. 1998, 425, 229-233.
-
(1998)
FEES Lett.
, vol.425
, pp. 229-233
-
-
Conti, E.1
Rivetti, C.2
Wonacott, A.3
Brick, P.4
-
53
-
-
19944405127
-
-
Davis, A. M.; Keeling, D. J.; Steele, J.; Tomkinson, N. P; Tinker, A. C. Curr. Top. Med. Chem. 2005, 5, 421-439.
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, pp. 421-439
-
-
Davis, A.M.1
Keeling, D.J.2
Steele, J.3
Tomkinson, N.P.4
Tinker, A.C.5
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