-
1
-
-
0001027207
-
Diverse Approaches to Combinatorial Library Design
-
Timmerman, H., Ed.; Elsevier Publishers: Amsterdam
-
Martin, E. J.; Critchlow, R. E.; Spellmeyer, D. C.; Rosenberg, S.; Spear, K. L.; Blaney, J. M. Diverse Approaches to Combinatorial Library Design. In Pharmacochemistry Library; Timmerman, H., Ed.; Elsevier Publishers: Amsterdam, 1998; Vol. 29, pp 133-146.
-
(1998)
Pharmacochemistry Library
, vol.29
, pp. 133-146
-
-
Martin, E.J.1
Critchlow, R.E.2
Spellmeyer, D.C.3
Rosenberg, S.4
Spear, K.L.5
Blaney, J.M.6
-
2
-
-
0031024171
-
Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings
-
Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
-
(1997)
Adv. Drug Delivery Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
3
-
-
0346057738
-
Bioisosterism and Molecular Diversity
-
Kubinyi, H., Martin, Y. C., Folkers, G., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands
-
Clark, R. D.; Ferguson, A. M.; Cramer, R. D. Bioisosterism and Molecular Diversity. In 3D QSAR in Drug Design; Kubinyi, H., Martin, Y. C., Folkers, G., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1998; Vol. 2, pp 211-224.
-
(1998)
3D QSAR in Drug Design
, vol.2
, pp. 211-224
-
-
Clark, R.D.1
Ferguson, A.M.2
Cramer, R.D.3
-
4
-
-
0029742341
-
Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single Topomeric Conformers
-
Cramer, R. D.; Clark, R. D.; Patterson, D. E.; Ferguson, A. M. Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single Topomeric Conformers. J. Med. Chem. 1996, 39, 3060-3069.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 3060-3069
-
-
Cramer, R.D.1
Clark, R.D.2
Patterson, D.E.3
Ferguson, A.M.4
-
5
-
-
0342645323
-
Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for use in Compound Selection
-
Brown, R. D.; Martin, Y. C. Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for use in Compound Selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-584
-
-
Brown, R.D.1
Martin, Y.C.2
-
6
-
-
5244364312
-
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
-
Brown, R. D.; Martin, Y. C. The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding. J. Chem. Inf. Comput. Sci. 1997, 37, 1-9.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1-9
-
-
Brown, R.D.1
Martin, Y.C.2
-
7
-
-
85034295705
-
-
Patent pending. OptiSim is a registered trademark of Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144
-
Patent pending. OptiSim is a registered trademark of Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144.
-
-
-
-
8
-
-
0000684663
-
OptiSim: An Extended Dissimilarity Selection Method for Finding Diverse Representative Subsets
-
Clark, R. D. OptiSim: An Extended Dissimilarity Selection Method for Finding Diverse Representative Subsets. J. Chem. Inf. Comput. Sci. 1997, 37, 1181-1188.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1181-1188
-
-
Clark, R.D.1
-
9
-
-
85034281849
-
-
Legion, SYBYL, UNITY, ChemEnlighten, and Selector are available from Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144
-
Legion, SYBYL, UNITY, ChemEnlighten, and Selector are available from Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144.
-
-
-
-
10
-
-
0029783934
-
Neighborhood Behavior: A Useful Concept for Validation of Molecular Diversity Descriptors
-
Patterson, D. E.; Cramer, R. D.; Ferguson, A. M.; Clark, R. D.; Weinberger, L. E. Neighborhood Behavior: A Useful Concept for Validation of Molecular Diversity Descriptors. J. Med. Chem. 1996, 39, 3049-3059.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 3049-3059
-
-
Patterson, D.E.1
Cramer, R.D.2
Ferguson, A.M.3
Clark, R.D.4
Weinberger, L.E.5
-
11
-
-
0020848951
-
A Survey of Recent Advances in Hierarchical Clustering Algorithms
-
Murtagh, F. A Survey of Recent Advances in Hierarchical Clustering Algorithms. Comput. J. 1983, 26, 354-359.
-
(1983)
Comput. J.
, vol.26
, pp. 354-359
-
-
Murtagh, F.1
-
13
-
-
0000635548
-
Rational Screening Set Design and Compound Selection: Cascaded Clustering
-
Menard, P. R.; Lewis, R. A.; Mason, J. S. Rational Screening Set Design and Compound Selection: Cascaded Clustering. J. Chem. Inf. Comput. Sci. 1998, 38, 497-505.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 497-505
-
-
Menard, P.R.1
Lewis, R.A.2
Mason, J.S.3
-
14
-
-
0000241046
-
Measures of Similarity, Dissimilarity, and Distance
-
Kotz, S., Johnson, N. L., Eds.; John Wiley & Sons: New York
-
Gower, J. C. Measures of Similarity, Dissimilarity, and Distance. In Encyclopedia of Statistical Sciences; Kotz, S., Johnson, N. L., Eds.; John Wiley & Sons: New York, 1985; Vol. 5, pp 397-405.
-
(1985)
Encyclopedia of Statistical Sciences
, vol.5
, pp. 397-405
-
-
Gower, J.C.1
-
16
-
-
85034294078
-
IcePick: A Flexible Surface Based System for Molecular Diversity
-
In press
-
Mount, J.; Ruppert, J.; Welch, W.; Jain, A. IcePick: A Flexible Surface Based System for Molecular Diversity. J. Med. Chem. In press.
-
J. Med. Chem.
-
-
Mount, J.1
Ruppert, J.2
Welch, W.3
Jain, A.4
-
17
-
-
0001526833
-
Definitions of Dissimilarity for Dissimilarity-Based Compound Selection
-
Holliday, J. D.; Willen, P. Definitions of Dissimilarity for Dissimilarity-Based Compound Selection. J. Biomol. Screening 1996, 1, 145-151.
-
(1996)
J. Biomol. Screening
, vol.1
, pp. 145-151
-
-
Holliday, J.D.1
Willen, P.2
-
18
-
-
0003126317
-
A General Theory of Classificatory Sorting Strategies. I. Hierarchical Systems
-
Lance, G. N.; Williams, W. T. A. A General Theory of Classificatory Sorting Strategies. I. Hierarchical Systems. Comput. J. 1967, 9, 373-380.
-
(1967)
Comput. J.
, vol.9
, pp. 373-380
-
-
Lance, G.N.1
Williams, W.T.A.2
-
20
-
-
0006128054
-
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
-
Reynolds, C. H.; Druker, R.; Pfahler, L. B. Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds. J. Chem. Inf. Comput. Sci. 1998, 38, 305-312.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 305-312
-
-
Reynolds, C.H.1
Druker, R.2
Pfahler, L.B.3
-
21
-
-
33751392117
-
Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures
-
Barnard, J. M.; Downs, G. M. Clustering of Chemical Structures on the Basis of Two-Dimensional Similarity Measures. J. Chem. Inf. Comput. Sci. 1992, 32, 644-649.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 644-649
-
-
Barnard, J.M.1
Downs, G.M.2
|