-
4
-
-
0027202613
-
-
DeWitt, S.H.; Kiely, J.S.; Stankovic, C.J.; Schroeder, M.C.; Cody, D.M.R.; Pavia, M.R. Proc. Natl. Acad. Sci. USA, 1993, 90, 6909.
-
(1993)
Proc. Natl. Acad. Sci. USA
, vol.90
, pp. 6909
-
-
DeWitt, S.H.1
Kiely, J.S.2
Stankovic, C.J.3
Schroeder, M.C.4
Cody, D.M.R.5
Pavia, M.R.6
-
5
-
-
0000528756
-
-
Gillet, V.J.; Willett, P.; Bradshaw, J. J. Chem. Inf. Comput. Sci., 1997, 37, 731.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 731
-
-
Gillet, V.J.1
Willett, P.2
Bradshaw, J.3
-
6
-
-
0033217178
-
-
Leach, A.R.; Bradshaw, J.; Green, D.V.S.; Hann, M.M.; Delany, J.J. J. Chem. Inf. Comput. Sci., 1999, 39, 1161.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1161
-
-
Leach, A.R.1
Bradshaw, J.2
Green, D.V.S.3
Hann, M.M.4
Delany, J.J.5
-
9
-
-
85039473835
-
MDL Central Library
-
available from MDL Inc., San Leandro, CA
-
MDL Central Library, available from MDL Inc., San Leandro, CA.
-
-
-
-
10
-
-
85039466706
-
CombiLibDBmaker
-
available from Tripos Inc., St. Louis, MS
-
CombiLibDBmaker available from Tripos Inc., St. Louis, MS.
-
-
-
-
11
-
-
85039483660
-
Accelrys ACCORD toolkit
-
available from Accelrys Inc., San Diego, CA
-
Accelrys ACCORD toolkit, available from Accelrys Inc., San Diego, CA.
-
-
-
-
12
-
-
85039483945
-
Afferent software
-
available from MDL Inc., San Leandro, CA
-
Afferent software, available from MDL Inc., San Leandro, CA.
-
-
-
-
14
-
-
85039472540
-
clogP
-
available from BioByte Inc., Claremont, CA 91711
-
clogP available from BioByte Inc., Claremont, CA 91711.
-
-
-
-
15
-
-
0034351499
-
-
Barnard, J.M.; Downs, G.M.; von Scholley-Pfab, A.; Brown, R.D. J. Mol. Graph. Model., 2000, 18, 452.
-
(2000)
J. Mol. Graph Model
, vol.18
, pp. 452
-
-
Barnard, J.M.1
Downs, G.M.2
von Scholley-Pfab, A.3
Brown, R.D.4
-
16
-
-
0031024171
-
-
Lipinski, C.A.; Lombardo, F.; Dominy, B.W.; Feeney, P.J. Adv. Drug. Delivery Rev., 1997, 23, 3.
-
(1997)
Adv. Drug. Delivery Rev.
, vol.23
, pp. 3
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
17
-
-
85039478885
-
ISIS
-
available from Molecular Design Limited, San Leandro, CA 94577
-
ISIS available from Molecular Design Limited, San Leandro, CA 94577.
-
-
-
-
18
-
-
84874650992
-
-
Daylight Chemical Information Systems Inc., Irvine, CA
-
Weininger, D., Delany, J. Daylight Theory Manual, Daylight Chemical Information Systems Inc., Irvine, CA.
-
Daylight Theory Manual
-
-
Weininger, D.1
Delany, J.2
-
19
-
-
0002696949
-
-
Lipkowitz. K.B.; Boyd, D.B. Eds.; VCH Publishers, New York
-
Downs,G.M.; Willett, P. In Reviews in Computational Chemistry; Lipkowitz. K.B.; Boyd, D.B. Eds.; VCH Publishers, New York, 1995; Vol. 7, pp. 67-118.
-
(1995)
Reviews in Computational Chemistry
, vol.7
, pp. 67-118
-
-
Downs, G.M.1
Willett, P.2
-
21
-
-
1542633999
-
Perspect
-
10
-
Pearlman, R.S., Smith, K.M. Perspect. Drug Discovery Des. 1998, 9, 10, 11, 339-353.
-
(1998)
Drug Discovery Des.
, vol.9-11
, pp. 339-353
-
-
Pearlman, R.S.1
Smith, K.M.2
-
22
-
-
0031133147
-
-
Lewis, R.A.; Mason, J.S.; McLay, I.M. J. Chem. Inf. Comput. Sci., 1997, 37, 599.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 599
-
-
Lewis, R.A.1
Mason, J.S.2
McLay, I.M.3
-
25
-
-
0037208266
-
-
Miller, J. L.; Bradley, E. K.; Teig, S. L Journal of Chemical Information and Computer Sciences, 2003, 43, 47.
-
(2003)
Journal of Chemical Information and Computer Sciences
, vol.43
, pp. 47
-
-
Miller, J.L.1
Bradley, E.K.2
Teig, S.L.3
-
27
-
-
0002606755
-
-
Walters, W.P.; Stahl, M.T.; Murcko, M.A. Drug Discovery Today, 1998, 3, 160.
-
(1998)
Drug Discovery Today
, vol.3
, pp. 160
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
29
-
-
0037763817
-
-
Wang, R.; Lu, Y.; Wang, S. Journal of Medicinal Chemistry 2003, 46, 2287.
-
(2003)
Journal of Medicinal Chemistry
, vol.46
, pp. 2287
-
-
Wang, R.1
Lu, Y.2
Wang, S.3
-
30
-
-
0038512041
-
-
Clark, R. D.; Kar, J.; Akella, L.; Soltanshahi, F. Journal of Chemical Information and Computer Sciences, 2003, 43, 829.
-
(2003)
Journal of Chemical Information and Computer Sciences
, vol.43
, pp. 829
-
-
Clark, R.D.1
Kar, J.2
Akella, L.3
Soltanshahi, F.4
-
31
-
-
85058253515
-
-
Drewry, D.H., Young, S.S. Chemom. Intell. Lab. Syst., 1999, 48, 1-20.
-
(1999)
Chemom. Intell. Lab. Syst.
, vol.48
, pp. 1-20
-
-
Drewry, D.H.1
Young, S.S.2
-
34
-
-
0032011973
-
-
Zheng, W., Cho, S.J., Tropsha, A. J. Chem. Inf. Comput. Sci., 1998, 38, 251-258.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 251-258
-
-
Zheng, W.1
Cho, S.J.2
Tropsha, A.3
-
35
-
-
0000443219
-
-
Bravi, G., Green, D.V. S., Hann, M.M., Leach, A.R. J. Chem. Inf. Comput. Sci., 2000, 40, 1441-1448.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1441-1448
-
-
Bravi, G.1
Green, D.V.S.2
Hann, M.M.3
Leach, A.R.4
-
37
-
-
85039484525
-
-
Available Chemicals Directory, available from MDL Inc., San Leandro, CA
-
Available Chemicals Directory, available from MDL Inc., San Leandro, CA.
-
-
-
-
38
-
-
0032011516
-
-
Pickett, S. D.; Luttmann, C.; Guerin, V.; Laoui, A.; James, E. Journal of Chemical Information and Computer Sciences, 1998 38, 144.
-
(1998)
Journal of Chemical Information and Computer Sciences
, vol.38
, pp. 144
-
-
Pickett, S.D.1
Luttmann, C.2
Guerin, V.3
Laoui, A.4
James, E.5
-
40
-
-
0035324944
-
-
Hann, M.M.; Leach, A.R.; Harper, G. J. Chem. Info. Comput. Sci., 2001, 41, 856.
-
(2001)
J. Chem. Info. Comput. Sci.
, vol.41
, pp. 856
-
-
Hann, M.M.1
Leach, A.R.2
Harper, G.3
-
41
-
-
0035438391
-
-
Oprea, T.I.; Davis, A.M.; Teague, S.J.; Leeson, P.D. J. Chem. Info. Comput. Sci., 2001, 41, 1308.
-
(2001)
J. Chem. Info. Comput. Sci.
, vol.41
, pp. 1308
-
-
Oprea, T.I.1
Davis, A.M.2
Teague, S.J.3
Leeson, P.D.4
-
42
-
-
15844383852
-
-
Gillet, V.J.; Willett, P.; Bradshaw, J.; Green, D.V.S. J. Chem. Inf. Comput. Sci., 1999, 39, 169.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 169
-
-
Gillet, V.J.1
Willett, P.2
Bradshaw, J.3
Green, D.V.S.4
-
43
-
-
0029610459
-
-
Holliday, J. D.; Ranade, S. S.; Willett, P. Quantitative Structure-Activity Relationships, 1995, 14, 501.
-
(1995)
Quantitative Structure-Activity Relationships
, vol.14
, pp. 501
-
-
Holliday, J.D.1
Ranade, S.S.2
Willett, P.3
-
49
-
-
0032234687
-
-
Agrafiotis, D.K.; Myslik, J.C.; Salemme, F.R. Mol. Diversity, 1999, 4, 1.
-
(1999)
Mol. Diversity
, vol.4
, pp. 1
-
-
Agrafiotis, D.K.1
Myslik, J.C.2
Salemme, F.R.3
-
50
-
-
0000340904
-
-
Agrafiotis, D.K.; Lobanov, V.S., J. Chem. Inf. Comput. Sci., 2000, 40, 1030.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1030
-
-
Agrafiotis, D.K.1
Lobanov, V.S.2
-
51
-
-
0000333109
-
-
Lobanov, V.S.; Agrafiotis, D.K., J. Chem. Inf. Comput. Sci., 2000, 40, 460.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 460
-
-
Lobanov, V.S.1
Agrafiotis, D.K.2
-
53
-
-
0034351502
-
-
Brown, R.D.; Hassan, M.; Waldman, M. J. Mol. Graph. Model. 2000, 18, 427.
-
(2000)
J. Mol. Graph. Model.
, vol.18
, pp. 427
-
-
Brown, R.D.1
Hassan, M.2
Waldman, M.3
-
54
-
-
85039475125
-
Cerius2
-
available from Accelrys Inc., San Diego, CA
-
Cerius2 available from Accelrys Inc., San Diego, CA.
-
-
-
-
55
-
-
0033654770
-
-
Zheng, W.; Hung, S.T.; Saunders, LT.; Seibel, G.L. Pacific Symposium on Biocomputing, Honolulu, Jan 4-9, 2000, 588.
-
(2000)
Pacific Symposium on Biocomputing Honolulu, Jan 4-9
, pp. 588
-
-
Zheng, W.1
Hung, S.T.2
Saunders, L.T.3
Seibel, G.L.4
-
57
-
-
0028953765
-
-
Martin, E.J.; Blaney, J.M.; Siani, M.A.; Spellmeyer, D.C.; Wong, A.K.; Moos, W.H. J. Med. Chem., 1995, 38, 1431.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1431
-
-
Martin, E.J.1
Blaney, J.M.2
Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moos, W.H.6
-
58
-
-
9244236254
-
-
Book of Abstracts, 217th ACS National Meeting, Anaheim, Calif., March 21-25
-
Pearlman, R. S.; Smith, K. M. Novel algorithms for the design of diverse and focussed combinatorial libraries. Book of Abstracts, 217th ACS National Meeting, Anaheim, Calif., March 21-25, 1999.
-
(1999)
Novel Algorithms for the Design of Diverse and Focussed Combinatorial Libraries
-
-
Pearlman, R.S.1
Smith, K.M.2
-
59
-
-
0035526141
-
-
Graham E.T., Jacober, S.P., Cardozo, M.G. J. Chem. Inf. Comput. Sci., 2001, 41, 1508.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1508
-
-
Graham, E.T.1
Jacober, S.P.2
Cardozo, M.G.3
-
61
-
-
0036489455
-
-
Gillet, V.J.; Khatib, W.; Willett, P., Fleming, P.J.; Green, D.V.S. J. Chem. Inf. Comput. Sci., 2002, 42, 375.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 375
-
-
Gillet, V.J.1
Khatib, W.2
Willett, P.3
Fleming, P.J.4
Green, D.V.S.5
-
62
-
-
0036010698
-
-
Gillet, V. J.; Willett, P.; Fleming, P. J.; Green, D. V. S. J. Mol. Graph. Model., 2002, 20, 491.
-
(2002)
J. Mol. Graph. Model.
, vol.20
, pp. 491
-
-
Gillet, V.J.1
Willett, P.2
Fleming, P.J.3
Green, D.V.S.4
-
63
-
-
0037363631
-
-
Wright, T.; Gillet, V. J.; Green, D. V. S.; Pickett, S. D. J. Chem. Inf. Comput. Sci., 2003, 43, 381.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 381
-
-
Wright, T.1
Gillet, V.J.2
Green, D.V.S.3
Pickett, S.D.4
-
64
-
-
0031127997
-
-
Kick, E.K.; Roe, D.C.; Skillman, A.G.; Liu, G.; Ewing, T.J.A.; Sun, Y.; Kuntz, I.D.; Ellman, J.A. Chem. Biol., 1997, 4, 297.
-
(1997)
Chem. Biol.
, vol.4
, pp. 297
-
-
Kick, E.K.1
Roe, D.C.2
Skillman, A.G.3
Liu, G.4
Ewing, T.J.A.5
Sun, Y.6
Kuntz, I.D.7
Ellman, J.A.8
-
66
-
-
0032196541
-
-
Sun, Y.; Ewing, T. J. A.; Skillman, A. G.; Kuntz, I. D. Journal of Computer-Aided Molecular Design, 1998, 12, 597.
-
(1998)
Journal of Computer-Aided Molecular Design
, vol.12
, pp. 597
-
-
Sun, Y.1
Ewing, T.J.A.2
Skillman, A.G.3
Kuntz, I.D.4
-
67
-
-
0035865951
-
-
Lamb, M. L.; Burdick, K. W.; Toba, S.; Young, M. M.; Skillman, A. G.; Zou, X.; Arnold, J. R.; Kuntz, I. D., Proteins: Struct., Funct., Genet., 2001, 42, 296.
-
(2001)
Proteins: Struct., Funct., Genet.
, vol.42
, pp. 296
-
-
Lamb, M.L.1
Burdick, K.W.2
Toba, S.3
Young, M.M.4
Skillman, A.G.5
Zou, X.6
Arnold, J.R.7
Kuntz, I.D.8
-
68
-
-
0030076041
-
-
Rarey, M.; Wefing, S.; Lengauer, T. Journal of Computer-Aided Molecular Design, 1996, 10, 41.
-
(1996)
Journal of Computer-Aided Molecular Design
, vol.10
, pp. 41
-
-
Rarey, M.1
Wefing, S.2
Lengauer, T.3
-
70
-
-
0028167547
-
-
Gillet, V.J.; Newell, W.; Mata, P.; Myatt, G.; Sike, S.; Zsoldos, Z.; Johnson, A.P. J. Chem. Inf. Comput. Sci., 1994, 34, 207.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 207
-
-
Gillet, V.J.1
Newell, W.2
Mata, P.3
Myatt, G.4
Sike, S.5
Zsoldos, Z.6
Johnson, A.P.7
-
71
-
-
0040541621
-
-
Bohm, H-J; Banner, D. W.; Weber, L. Journal of Computer-Aided Molecular Design, 1999, 13, 51.
-
(1999)
Journal of Computer-Aided Molecular Design
, vol.13
, pp. 51
-
-
Bohm, H.-J.1
Banner, D.W.2
Weber, L.3
-
73
-
-
0000819953
-
-
Pickett, S.D.; McLay, I.M.; Clark, D.E. J. Chem. Inf. Comput. Sci., 2000, 40, 263.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 263
-
-
Pickett, S.D.1
McLay, I.M.2
Clark, D.E.3
-
74
-
-
0037161596
-
-
McKenna, J. M.; Halley, F.; Souness, J. E.; McLay, I. M.; Pickett, S. D.; Collis, A. J.; Page, K.; Ahmed, I. J. Med. Chem., 2002, 45, 2173.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 2173
-
-
McKenna, J.M.1
Halley, F.2
Souness, J.E.3
McLay, I.M.4
Pickett, S.D.5
Collis, A.J.6
Page, K.7
Ahmed, I.8
-
76
-
-
0038101420
-
-
Wyss, P.C.; Gerber, P.; Hartman, P.G.; Hubschwerlen, C.; Locher, H.; Marty, H-P.; Stahl, M. J. Med. Chem., 2003, 46 2304.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2304
-
-
Wyss, P.C.1
Gerber, P.2
Hartman, P.G.3
Hubschwerlen, C.4
Locher, H.5
Marty, H.-P.6
Stahl, M.7
|