-
1
-
-
0033606988
-
New 4-point pharmacophore method for molecular similarity and diversity applications: Overview of the method and applications, including a novel approach to the design of combinatorial libraries containing a privileged substructures
-
Mason, J. S.; Morize, I.; Menard, P. R.; Cheney, D. L.; Hulme, C.; Labaudiniere, R. F. New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing a privileged substructures. J. Med. Chem. 1999, 42, 2, 3251-3264.
-
(1999)
J. Med. Chem.
, vol.42
, Issue.2
, pp. 3251-3264
-
-
Mason, J.S.1
Morize, I.2
Menard, P.R.3
Cheney, D.L.4
Hulme, C.5
Labaudiniere, R.F.6
-
2
-
-
0034684250
-
Natural product-like combinatorial libraries based on privileged structures. 1. General principles and solid-phase synthesis of benzopyrans
-
Nicolau, K. C.; Pfefferkorn, J. A.; Roecker, A. J.; Cao, G.-Q.; Barluenga, S.; Mitchell, H. J. Natural product-like combinatorial libraries based on privileged structures. 1. General principles and solid-phase synthesis of benzopyrans. J. Am. Chem. Soc. 2000, 122, 9939-9953.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 9939-9953
-
-
Nicolau, K.C.1
Pfefferkorn, J.A.2
Roecker, A.J.3
Cao, G.-Q.4
Barluenga, S.5
Mitchell, H.J.6
-
3
-
-
0036589386
-
Exploring privileged structures: The combinatorial synthesis of cyclic peptides
-
Horton, D. A.; Bourne, G. T.; Smythe, M. L. Exploring privileged structures: the combinatorial synthesis of cyclic peptides. J. Comput.-Aided. Mol. Des. 2002, 16, 415-430.
-
(2002)
J. Comput.-Aided. Mol. Des.
, vol.16
, pp. 415-430
-
-
Horton, D.A.1
Bourne, G.T.2
Smythe, M.L.3
-
4
-
-
0034869394
-
Computational approaches toward the rational design of drug-like compound libraries
-
Matter, H.; Baringhaus, K.-H.; Naumann, T.; Klabunde, T.; Pirard, B. Computational approaches toward the rational design of drug-like compound libraries. Comb. Chem. High Throughput Screening 2001, 4, 453-475.
-
(2001)
Comb. Chem. High Throughput Screening
, vol.4
, pp. 453-475
-
-
Matter, H.1
Baringhaus, K.-H.2
Naumann, T.3
Klabunde, T.4
Pirard, B.5
-
6
-
-
0036835460
-
Integration of virtual and high-throughput screening
-
Bajorath, J. Integration of virtual and high-throughput screening. Nature Rev. Drug Discovery 2002, 1, 882-894.
-
(2002)
Nature Rev. Drug Discovery
, vol.1
, pp. 882-894
-
-
Bajorath, J.1
-
8
-
-
0038596736
-
-
San Leandro, CA
-
MDDR Licensed by Molecular Design, Ltd. San Leandro, CA. www.mdli.com.
-
-
-
-
9
-
-
0001577643
-
Chemical similarity using physiochemical property descriptors
-
Kearsley, S. K.; Sallamack, S.; Fluder, E. M.; Andose, J. D.; Mosley, R. T.; Sheridan, R.P. Chemical similarity using physiochemical property descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 118-127.
-
(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
-
10
-
-
0000446756
-
A method for visualizing recurrent topological substructures in sets of active molecules
-
Sheridan, R. P.; Miller, M. D. A method for visualizing recurrent topological substructures in sets of active molecules. J. Chem. Inf. Comput. Sci. 1998, 38, 915-924.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 915-924
-
-
Sheridan, R.P.1
Miller, M.D.2
-
11
-
-
0028259890
-
Decision combination in multiple classifier systems
-
Ho, T. K.; Hull, J. J.; Srihari, S. N. Decision combination in multiple classifier systems. IEEE Trans Pattern Anal. Mach. Intel. 1994, 16, 66-75.
-
(1994)
IEEE Trans Pattern Anal. Mach. Intel.
, vol.16
, pp. 66-75
-
-
Ho, T.K.1
Hull, J.J.2
Srihari, S.N.3
-
12
-
-
0003495102
-
-
McGraw-Hill: New York
-
Goodman and Gilman's Pharmacological Basis of Therapeutics, 10th ed.; Hardman, J. G., Limbird, L. E., Goodman, A., Gilman, Eds.; McGraw-Hill: New York, 2001.
-
(2001)
Goodman and Gilman's Pharmacological Basis of Therapeutics, 10th Ed.
-
-
Hardman, J.1
Limbird, G.2
Goodman, L.E.3
Gilman, A.4
-
13
-
-
0036865292
-
CKB-the compound knowledge base: A text based chemical search system
-
Walker, M. J.; Hull, R. D.; Singh, S. B. CKB-the compound knowledge base: a text based chemical search system. J. Chem. Inf. Comput. Sci. 2002, 42, 1293-1295.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 1293-1295
-
-
Walker, M.J.1
Hull, R.D.2
Singh, S.B.3
-
14
-
-
0028454829
-
Extending the trend vector: The trend matrix and sample-based partial least squares
-
Sheridan, R. P.; Nachbar, R. B.; Bush, B. L. Extending the trend vector: the trend matrix and sample-based partial least squares. J. Comput.-Aided Mol. Des. 1994, 8, 323-340.
-
(1994)
J. Comput.-Aided Mol. Des.
, vol.8
, pp. 323-340
-
-
Sheridan, R.P.1
Nachbar, R.B.2
Bush, B.L.3
-
15
-
-
0030191311
-
STIGMATA: An algorithm to determine structural commonalities in diverse subsets
-
Shemetulskis, N. E.; Weininger, D.; Blankley, C. J.; Yang, J. J.; Humblet, C. STIGMATA: an algorithm to determine structural commonalities in diverse subsets. J. Chem. Inf. Comput. Sci. 1996, 36, 862-871.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 862-871
-
-
Shemetulskis, N.E.1
Weininger, D.2
Blankley, C.J.3
Yang, J.J.4
Humblet, C.5
-
16
-
-
0032058905
-
RECAP-retrosynthetic combinatorial analysis procedure: A powerful new technique for indentifying privileged molecular fragments with useful applications in combinatorial chemistry
-
Lewell, X. Q.; Judd, D. B.; Watson, S. P.; Hann, M. M. RECAP-retrosynthetic combinatorial analysis procedure: a powerful new technique for indentifying privileged molecular fragments with useful applications in combinatorial chemistry. J. Chem. Inf. Comput. Sci. 1998, 38, 511-522.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 511-522
-
-
Lewell, X.Q.1
Judd, D.B.2
Watson, S.P.3
Hann, M.M.4
-
17
-
-
0031077897
-
Drug-motif-based diverse monomer selection: Method and application in combinatorial chemistry
-
Lewell, X. Q.; Smith, R. Drug-motif-based diverse monomer selection: method and application in combinatorial chemistry. J. Mol. Graph. Model. 1997, 15, 43-48.
-
(1997)
J. Mol. Graph. Model.
, vol.15
, pp. 43-48
-
-
Lewell, X.Q.1
Smith, R.2
-
18
-
-
0029894013
-
The properties of known drugs. 1. Molecular frameworks
-
Bemis, G.; Murcko, M. A. The properties of known drugs. 1. Molecular frameworks. J. Med. Chem. 1996, 39, 2887-2893.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2887-2893
-
-
Bemis, G.1
Murcko, M.A.2
-
19
-
-
0033576605
-
Properties of known drugs. 2. Side chains
-
Bemis, G.; Murcko, M. A. Properties of known drugs. 2. Side chains. J. Med. Chem. 1999, 42, 5095-5099.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 5095-5099
-
-
Bemis, G.1
Murcko, M.A.2
-
20
-
-
0037920563
-
Text influenced molecular indexing (TIMI): A literature database that handles text and chemistry
-
In press
-
Singh, S. B.; Hull, R. D.; Fluder, E. M. Text influenced molecular indexing (TIMI): a literature database that handles text and chemistry. J. Chem. Inf. Comput. Sci. In press.
-
J. Chem. Inf. Comput. Sci.
-
-
Singh, S.B.1
Hull, R.D.2
Fluder, E.M.3
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