-
1
-
-
0003641826
-
-
Wiley, New York, NY
-
Johnson, M. A. and Maggiora, G. M., Concepts and Applications of Molecular Similarity, Wiley, New York, NY, 1990.
-
(1990)
Concepts and Applications of Molecular Similarity
-
-
Johnson, M.A.1
Maggiora, G.M.2
-
2
-
-
0003955925
-
-
American Chemical Society, Washington, D.C.
-
Hansch, C. and Leo, A., Exploring QSAR. Fundamentals and Applications in Chemistry and Biology, American Chemical Society, Washington, D.C., 1995.
-
(1995)
Exploring QSAR. Fundamentals and Applications in Chemistry and Biology
-
-
Hansch, C.1
Leo, A.2
-
3
-
-
0031502511
-
Does combinatorial chemistry obviate computer-aided drug design?
-
Lipkowitz, K. B. and Boyd, D. B. (Eds.) VCH, Weinheim
-
Martin, E. J., Spellmeyer, D. C., Critchlow, R. E. Jr. and Blaney, J. M., Does combinatorial chemistry obviate computer-aided drug design?, In Lipkowitz, K. B. and Boyd, D. B. (Eds.) Reviews in Computational Chemistry, VCH, Weinheim, 1997, pp. 75-100.
-
(1997)
Reviews in Computational Chemistry
, pp. 75-100
-
-
Martin, E.J.1
Spellmeyer, D.C.2
Critchlow Jr., R.E.3
Blaney, J.M.4
-
4
-
-
2342663611
-
Computational approaches for combinatorial library design and molecular diversity analysis
-
in press
-
Blaney, J. M. and Martin, E. J., Computational approaches for combinatorial library design and molecular diversity analysis, Curr. Biol., in press.
-
Curr. Biol.
-
-
Blaney, J.M.1
Martin, E.J.2
-
5
-
-
0001094338
-
Quantifying Diversity
-
Kerwin, J. F. and Gordon, E. M. (Eds.) Wiley, New York, NY, in press
-
Martin, Y. C., Brown, R. D. and Bures, M. G., Quantifying Diversity, In Kerwin, J. F. and Gordon, E. M. (Eds.) Combinatorial Chemistry and Molecular Diversity, Wiley, New York, NY, in press.
-
Combinatorial Chemistry and Molecular Diversity
-
-
Martin, Y.C.1
Brown, R.D.2
Bures, M.G.3
-
7
-
-
0028496956
-
Similarity searching and clustering of chemical-structure databases using molecular property data
-
Downs, G. M. and Willett, P., Similarity searching and clustering of chemical-structure databases using molecular property data, J. Chem. Inf. Comput. Sci., 34 (1994) 1094-1102.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1094-1102
-
-
Downs, G.M.1
Willett, P.2
-
8
-
-
0028953765
-
Measuring diversity: Experimental design of combinatorial libraries for drug discovery
-
Martin, E. J., Blaney, J. M., Siani, M. A., Spellmeyer, D. C., Wong, A. K. and Moos, W. H., Measuring diversity: experimental design of combinatorial libraries for drug discovery, J. Med. Chem., 38 (1995) 1431-1436.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1431-1436
-
-
Martin, E.J.1
Blaney, J.M.2
Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moos, W.H.6
-
9
-
-
0642334276
-
-
Lewis, R., McLay, I. M. and Mason, J. S., Chem. Des. Autom. News, 10(4) (1995) 37-38.
-
(1995)
Chem. Des. Autom. News
, vol.10
, Issue.4
, pp. 37-38
-
-
Lewis, R.1
McLay, I.M.2
Mason, J.S.3
-
10
-
-
0342645323
-
Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection
-
Brown, R. D. and 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., 36 (1996) 572-584.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-584
-
-
Brown, R.D.1
Martin, Y.C.2
-
11
-
-
5244364312
-
The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding
-
Brown, R. D. and Martin, Y. C., The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding, J. Chem. Inf. Comput. Sci., 37 (1997) 1-9.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1-9
-
-
Brown, R.D.1
Martin, Y.C.2
-
12
-
-
0002370147
-
-
Manhold, R., Krogsgaard-Larsen, P. and Timmermann, H. (Eds.) VCH, Weinheim
-
Kubinyi, J., In Manhold, R., Krogsgaard-Larsen, P. and Timmermann, H. (Eds.) Methods and Principles in Medicinal Chemistry, Vol. 1, VCH, Weinheim, 1993, pp. 21-36.
-
(1993)
Methods and Principles in Medicinal Chemistry
, vol.1
, pp. 21-36
-
-
Kubinyi, J.1
-
13
-
-
0003816887
-
-
Wiley, New York, NY
-
Kier, L. B. and Hall, L. H., Molecular Connectivity in Structure-Activity Analysis, Wiley, New York, NY, 1986.
-
(1986)
Molecular Connectivity in Structure-Activity Analysis
-
-
Kier, L.B.1
Hall, L.H.2
-
15
-
-
84956834371
-
-
Haney Associates, Mercer Island, WA
-
Molconn-X, Haney Associates, Mercer Island, WA.
-
Molconn-X
-
-
-
16
-
-
0002748938
-
Techniques for generating descriptive fingerprints in combinatorial libraries
-
Downs, G. M. and Barnard, J. M., Techniques for generating descriptive fingerprints in combinatorial libraries, J. Chem. Inf. Comput. Sci., 37 (1997) 59-61.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 59-61
-
-
Downs, G.M.1
Barnard, J.M.2
-
17
-
-
33845379303
-
Atom pairs as molecular features in structure-activity studies: Definition and application
-
Carhart, R. E., Smith, D. H. and Venkataraghavan, R., Atom pairs as molecular features in structure-activity studies: definition and application, J. Chem. Inf. Comput. Sci., 25 (1985) 64-73.
-
(1985)
J. Chem. Inf. Comput. Sci.
, vol.25
, pp. 64-73
-
-
Carhart, R.E.1
Smith, D.H.2
Venkataraghavan, R.3
-
18
-
-
0001577643
-
Chemical similarity using physicochemical property descriptors
-
Kearsley, S. K., Sallmack, S., Fluder, E. M., Andose, J. D., Mosley, R. T. and Sheridan, R. P., Chemical similarity using physicochemical property descriptors, J. Chem. Inf. Comput. Sci., 36 (1996) 118-127.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 118-127
-
-
Kearsley, S.K.1
Sallmack, S.2
Fluder, E.M.3
Andose, J.D.4
Mosley, R.T.5
Sheridan, R.P.6
-
19
-
-
0001639610
-
Chemical similarity using geometric atom pair descriptors
-
Sheridan, R. P., Miller, M. D., Underwood, D. J. and Kearsley, S. K., Chemical similarity using geometric atom pair descriptors, J. Chem. Inf. Comput. Sci., 36 (1996) 128-136.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 128-136
-
-
Sheridan, R.P.1
Miller, M.D.2
Underwood, D.J.3
Kearsley, S.K.4
-
20
-
-
0001057103
-
The autocorrelation of a topological structure: A new molecular descriptor
-
Moreau, G. and Broto, P., The autocorrelation of a topological structure: a new molecular descriptor, Nouv. J. Chim., 4 (1980) 359-360.
-
(1980)
Nouv. J. Chim.
, vol.4
, pp. 359-360
-
-
Moreau, G.1
Broto, P.2
-
21
-
-
0030278229
-
Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: Dopamine and benzodiazepine agonists
-
Bauknecht, H., Zell, A., Bayer, H., Levi, P., Wagener, M., Sadowski, J. and Gasteiger, J., Locating biologically active compounds in medium-sized heterogeneous datasets by topological autocorrelation vectors: dopamine and benzodiazepine agonists, J. Chem. Inf. Comput. Sci., 36 (1996) 1205-1213.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1205-1213
-
-
Bauknecht, H.1
Zell, A.2
Bayer, H.3
Levi, P.4
Wagener, M.5
Sadowski, J.6
Gasteiger, J.7
-
22
-
-
0028851251
-
Autocorrelation of molecular surface properties for modeling corticosteroid binding globulin and cytosolic Ah receptor activity by neural networks
-
Wagener, M., Sadowski, J. and Gasteiger, J., Autocorrelation of molecular surface properties for modeling corticosteroid binding globulin and cytosolic Ah receptor activity by neural networks, J. Am. Chem. Soc., 117 (1995) 7769-7775.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7769-7775
-
-
Wagener, M.1
Sadowski, J.2
Gasteiger, J.3
-
23
-
-
2342658379
-
-
Sadowski, J., Wagener, M. and Gasteiger, J., Angew. Chem. Int. Ed. Engl., 34 (1996) 23-24.
-
(1996)
Angew. Chem. Int. Ed. Engl.
, vol.34
, pp. 23-24
-
-
Sadowski, J.1
Wagener, M.2
Gasteiger, J.3
-
24
-
-
0003230848
-
Novel software tools for addressing chemical diversity
-
June
-
Pearlman, R. S., Novel software tools for addressing chemical diversity, Network Science, 1996, June, http://www.awod.com/netsci/issues/.
-
(1996)
Network Science
-
-
Pearlman, R.S.1
-
25
-
-
0024715264
-
Molecular identification number for substructure searches
-
Burden, F. R., Molecular identification number for substructure searches, J. Chem. Inf. Comput. Sci., 29 (1989) 225-227.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 225-227
-
-
Burden, F.R.1
-
28
-
-
0028466540
-
Comparison of automatic three-dimensional model builders using 639 X-ray structures
-
Sadowski, J., Gasteiger, J. and Klebe, G., Comparison of automatic three-dimensional model builders using 639 X-ray structures, J. Chem. Inf. Comput. Sci., 34 (1994) 1000-1008.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1000-1008
-
-
Sadowski, J.1
Gasteiger, J.2
Klebe, G.3
-
29
-
-
0024765584
-
-
Sheridan, R. P., Nilikantan, R., Rusinko, A., Bauman, N., Haraki, K. and Venkataraghavan, R., J. Chem. Inf. Comput. Sci., 29 (1989) 255-260.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 255-260
-
-
Sheridan, R.P.1
Nilikantan, R.2
Rusinko, A.3
Bauman, N.4
Haraki, K.5
Venkataraghavan, R.6
-
30
-
-
0000465937
-
Diversity profiling and design using 3D pharmacophores: Pharmacophore-derived queries (PDQ)
-
Pickett, S., Mason, J. S. and McLay, I. M., Diversity profiling and design using 3D pharmacophores: pharmacophore-derived queries (PDQ), J. Chem. Inf. Comput. Sci., 36 (1996) 1214-1223.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1214-1223
-
-
Pickett, S.1
Mason, J.S.2
McLay, I.M.3
-
31
-
-
0005757079
-
Combinatorial chemistry library design using pharmacophore diversity
-
Davies, E. K. and Briant, C., Combinatorial chemistry library design using pharmacophore diversity, Network Science, 1995, http://www.awod.com/netsci/issues/.
-
(1995)
Network Science
-
-
Davies, E.K.1
Briant, C.2
-
33
-
-
0029742341
-
Bioisosterism as a molecular diversity descriptor: Steric fields of single topomeric conformers
-
Cramer, R. D., Clark, R. D., Patterson, D. E. and Ferguson, A. M., Bioisosterism as a molecular diversity descriptor: steric fields of single topomeric conformers, J. Med. Chem., 39 (1996) 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
-
34
-
-
0029240364
-
Predicting ligand binding to proteins by affinity fingerprinting
-
Kauvar, L. M., Higgins, D. L., Villar, H. O., Sportsman, J. R., Engqvist-Goldstein, A., Bukar, R., Bauer, K. E., Dilley, H. and Rocke, D. M., Predicting ligand binding to proteins by affinity fingerprinting, Chem. Biol., 2 (1995) 107-118.
-
(1995)
Chem. Biol.
, vol.2
, pp. 107-118
-
-
Kauvar, L.M.1
Higgins, D.L.2
Villar, H.O.3
Sportsman, J.R.4
Engqvist-Goldstein, A.5
Bukar, R.6
Bauer, K.E.7
Dilley, H.8
Rocke, D.M.9
-
35
-
-
0029783934
-
Neighborhood behavior: A useful concept for validation of molecular diversity descriptors
-
Patterson, D. E., Cramer, R. D., Ferguson, A. M., Clark, R. D. and Weinberger, L. E., Neighborhood behavior: a useful concept for validation of molecular diversity descriptors, J. Med. Chem., 39 (1996) 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
-
37
-
-
0003545910
-
-
Wiley, New York, NY
-
Scott, D. W., Multivariate Density Estimation: Theory, Practice and Visualization, Wiley, New York, NY, 1992.
-
(1992)
Multivariate Density Estimation: Theory, Practice and Visualization
-
-
Scott, D.W.1
-
38
-
-
0000477412
-
Hyperdimensional data analysis using parallel coordinates
-
Wegman, E., Hyperdimensional data analysis using parallel coordinates, J. Ann. Statist., 41 (1970) 457-471.
-
(1970)
J. Ann. Statist.
, vol.41
, pp. 457-471
-
-
Wegman, E.1
-
40
-
-
0003839524
-
-
Wiley, New York, NY
-
Cooley, W. and Lohnes, P., Multivariate Data Analysis, Wiley, New York, NY, 1971.
-
(1971)
Multivariate Data Analysis
-
-
Cooley, W.1
Lohnes, P.2
-
41
-
-
0029848429
-
Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments
-
Gibson, S., McGuire, R. and Rees, D. C., Principal components describing biological activities and molecular diversity of heterocyclic aromatic ring fragments, J. Med. Chem., 39 (1996) 4065-4072.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 4065-4072
-
-
Gibson, S.1
McGuire, R.2
Rees, D.C.3
-
42
-
-
0030191461
-
Molecular diversity in chemical databases: Comparison of medicinal chemistry knowledge bases and databases of commercially available compounds
-
Cummins, D. J., Andrews, C. W., Bentley, J. A. and Cory, M., Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compounds, J. Chem. Inf. Comput. Sci., 36 (1996) 750-763.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 750-763
-
-
Cummins, D.J.1
Andrews, C.W.2
Bentley, J.A.3
Cory, M.4
-
43
-
-
0030252451
-
Optimization and visualization of molecular diversity of combinatorial libraries
-
Hassan, M., Bielawski, J. P., Hempel, J. C. and Waldman, M., Optimization and visualization of molecular diversity of combinatorial libraries, Mol. Div., 2 (1996) 64-74.
-
(1996)
Mol. Div.
, vol.2
, pp. 64-74
-
-
Hassan, M.1
Bielawski, J.P.2
Hempel, J.C.3
Waldman, M.4
-
44
-
-
0000191614
-
Stochastic algorithms for maximizing molecular diversity
-
Agrafiotis, D. K., Stochastic algorithms for maximizing molecular diversity, J. Chem. Inf. Comput. Sci., 37 (1997) 841.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 841
-
-
Agrafiotis, D.K.1
-
45
-
-
0001818323
-
-
Silipo, C. and Vittoria, A. (Eds.) Elsevier, Amsterdam
-
Lajiness, M. S., In Silipo, C. and Vittoria, A. (Eds.) QSAR: Rational Approaches to the Design of Bioactive Compounds, Elsevier, Amsterdam, 1991, pp. 201-204.
-
(1991)
QSAR: Rational Approaches to the Design of Bioactive Compounds
, pp. 201-204
-
-
Lajiness, M.S.1
-
46
-
-
0001568787
-
LiBrain: Software for automated design of exploratory and targeted combinatorial libraries
-
Chaiken, I. M. and Janda, K. D. (Eds.) American Chemical Society, Washington DC
-
Polinsky, A., Feinstein, R. D., Shi, S. and Kuki, A., LiBrain: software for automated design of exploratory and targeted combinatorial libraries, In Chaiken, I. M. and Janda, K. D. (Eds.) Molecular Diversity and Combinatorial Chemistry, American Chemical Society, Washington DC, 1996, pp. 219-232.
-
(1996)
Molecular Diversity and Combinatorial Chemistry
, pp. 219-232
-
-
Polinsky, A.1
Feinstein, R.D.2
Shi, S.3
Kuki, A.4
-
47
-
-
0030341922
-
The measurement of molecular diversity: A 3-dimensional approach
-
Chapman, D., The measurement of molecular diversity: a 3-dimensional approach, J. Comput.-Aided Mol. Design, 10 (1996) 501-512.
-
(1996)
J. Comput.-Aided Mol. Design
, vol.10
, pp. 501-512
-
-
Chapman, D.1
-
48
-
-
0029233859
-
Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals
-
Taylor, R., Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals, J. Chem. Inf. Comput. Sci., 35 (1995) 59-67.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 59-67
-
-
Taylor, R.1
-
49
-
-
2342556370
-
ANALOGS: A computer program for the design of multivariate sets of synthetic analogs
-
Marsili, M. and Saller, H., ANALOGS: a computer program for the design of multivariate sets of synthetic analogs, J. Chem. Inf. Comput. Sci., 33 (1993) 266-269.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 266-269
-
-
Marsili, M.1
Saller, H.2
-
51
-
-
2342608906
-
-
United States Patent 5,463,564, 1995
-
Agrafiotis, D. K., Bone, R. F., Salemme, F. R. and Soll, R. M., United States Patent 5,463,564, 1995.
-
-
-
Agrafiotis, D.K.1
Bone, R.F.2
Salemme, F.R.3
Soll, R.M.4
-
52
-
-
0003841613
-
Enhancing the drug discovery process by integration of high-throughput chemistry and structure-based drug design
-
Chaiken, I. M. and Janda, K. D. (Eds.) American Chemical Society, Washington, DC
-
Graybill, T. L., Agrafiotis, D. K., Bone, R., Illig, C. R., Jaeger, E. P., Locke, K. T., Lu, T., Salvino, J. M., Soll, R. M., Spurlino, J. C., Subasinghe, N., Tomczuk, B. E. and Salemme, F. R., Enhancing the drug discovery process by integration of high-throughput chemistry and structure-based drug design, In Chaiken, I. M. and Janda, K. D. (Eds.) Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery, American Chemical Society, Washington, DC, 1996, pp. 16-27.
-
(1996)
Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery
, pp. 16-27
-
-
Graybill, T.L.1
Agrafiotis, D.K.2
Bone, R.3
Illig, C.R.4
Jaeger, E.P.5
Locke, K.T.6
Lu, T.7
Salvino, J.M.8
Soll, R.M.9
Spurlino, J.C.10
Subasinghe, N.11
Tomczuk, B.E.12
Salemme, F.R.13
-
53
-
-
0000709242
-
On the use of information theory for assessing molecular diversity
-
Agrafiotis, D. K., On the use of information theory for assessing molecular diversity, J. Chem. Inf. Comput. Sci., 37 (1997) 576-580.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 576-580
-
-
Agrafiotis, D.K.1
-
54
-
-
0001916126
-
An efficient implementation of distance-based diversity measures based on k-d trees
-
in press
-
Agrafiotis, D. K. and Lobanov, V. S., An efficient implementation of distance-based diversity measures based on k-d trees, J. Chem. Inf. Comput. Sci., in press.
-
J. Chem. Inf. Comput. Sci.
-
-
Agrafiotis, D.K.1
Lobanov, V.S.2
-
55
-
-
0030191311
-
Stigmata: An algorithm to determine structural commonalities in diverse datasets
-
Shemetulsksis, N. E., Weininger, D., Blankley, C. J., Yang, J. J. and Humblet, C., Stigmata: an algorithm to determine structural commonalities in diverse datasets, J. Chem. Inf. Comput. Sci., 36 (1996) 862-871.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 862-871
-
-
Shemetulsksis, N.E.1
Weininger, D.2
Blankley, C.J.3
Yang, J.J.4
Humblet, C.5
-
56
-
-
0029382598
-
Characterizing the geometrical diversity of functional groups in chemical databases
-
Boyd, S. M., Beverly, M., Norskov, L. and Hubbard, R. E., Characterizing the geometrical diversity of functional groups in chemical databases, J. Comput.-Aided Mol. Design, 9 (1995) 417-424.
-
(1995)
J. Comput.-Aided Mol. Design
, vol.9
, pp. 417-424
-
-
Boyd, S.M.1
Beverly, M.2
Norskov, L.3
Hubbard, R.E.4
-
57
-
-
2342556363
-
-
Bartlett, P. A., Abstracts of Papers of the American Chemical Society, 1996, 211
-
Bartlett, P. A., Abstracts of Papers of the American Chemical Society, 1996, 211.
-
-
-
-
58
-
-
85138962150
-
Molecular diversity assessment: Logarithmic relations of information and species diversity and logarithmic relations of entropy and indistinguishability after rejection of Gibbs paradox of entropy mixing
-
Lin, S. K., Molecular diversity assessment: logarithmic relations of information and species diversity and logarithmic relations of entropy and indistinguishability after rejection of Gibbs paradox of entropy mixing, Molecules, 1 (1996) 57-67.
-
(1996)
Molecules
, vol.1
, pp. 57-67
-
-
Lin, S.K.1
-
59
-
-
0002647926
-
Rapid quantification of molecular diversity for selective database acquisition
-
Turner, D. B., Tyrrell, S. M. and Willett, P., Rapid quantification of molecular diversity for selective database acquisition, J. Chem. Inf. Comput. Sci., 37 (1997) 18-22.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 18-22
-
-
Turner, D.B.1
Tyrrell, S.M.2
Willett, P.3
-
60
-
-
84949331034
-
The use of faces to represent points in k-dimensional space graphically
-
Chernoff, H., The use of faces to represent points in k-dimensional space graphically, J. Am. Statist. Assoc., 68 (1973) 361-368.
-
(1973)
J. Am. Statist. Assoc.
, vol.68
, pp. 361-368
-
-
Chernoff, H.1
-
61
-
-
0000974551
-
Plots of high dimensional data
-
Andrews, D. F., Plots of high dimensional data, Biometrics, 28 (1972) 125-136.
-
(1972)
Biometrics
, vol.28
, pp. 125-136
-
-
Andrews, D.F.1
-
62
-
-
0001048389
-
Graphical methods in statistics
-
Fienberg, S. E., Graphical methods in statistics, Am. Statist., 33 (1979) 165-178.
-
(1979)
Am. Statist.
, vol.33
, pp. 165-178
-
-
Fienberg, S.E.1
-
63
-
-
0022140354
-
The plane with parallel coordinates
-
Inselberg, A., The plane with parallel coordinates, The Visual Computer, 1 (1985) 69-91.
-
(1985)
The Visual Computer
, vol.1
, pp. 69-91
-
-
Inselberg, A.1
-
65
-
-
84950351930
-
Multi-dimensional scaling: I. Theory and method
-
Torgerson, W. S., Multi-dimensional scaling: I. Theory and method, Psychometrika, 17 (1952) 401-419.
-
(1952)
Psychometrika
, vol.17
, pp. 401-419
-
-
Torgerson, W.S.1
-
66
-
-
24944533365
-
Non-metric multi-dimensional scaling: A numerical method
-
Kruskal, J. B., Non-metric multi-dimensional scaling: a numerical method, Phychometrika, 29 (1964) 115-129.
-
(1964)
Phychometrika
, vol.29
, pp. 115-129
-
-
Kruskal, J.B.1
-
67
-
-
84887006810
-
A non-linear mapping for data structure analysis
-
Sammon, J. W., A non-linear mapping for data structure analysis, IEEE Trans. Comp., C-18 (1969) 401-409.
-
(1969)
IEEE Trans. Comp.
, vol.C-18
, pp. 401-409
-
-
Sammon, J.W.1
-
68
-
-
0031043056
-
A new method for analyzing protein sequence relationships based on Sammon maps
-
Agrafiotis, D. K., A new method for analyzing protein sequence relationships based on Sammon maps, Protein Sci., 6 (1997) 287-293.
-
(1997)
Protein Sci.
, vol.6
, pp. 287-293
-
-
Agrafiotis, D.K.1
-
69
-
-
2342661122
-
-
Agrafiotis, D. K. and Lobanov, V. S., unpublished results
-
Agrafiotis, D. K. and Lobanov, V. S., unpublished results.
-
-
-
-
70
-
-
0001680792
-
Diversity of chemical libraries
-
Schleyer, P. v. R. (Ed.), Wiley, New York, NY
-
Agrafiotis, D. K., Diversity of chemical libraries, In Schleyer, P. v. R. (Ed.), Encyclopedia of Computational Chemistry, Wiley, New York, NY, 1998.
-
(1998)
Encyclopedia of Computational Chemistry
-
-
Agrafiotis, D.K.1
-
71
-
-
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., 37 (1997) 1181-1188.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1181-1188
-
-
Clark, R.D.1
-
72
-
-
0001526833
-
Definitions of dissimilarity for dissimilarity-based compound selection
-
Holliday, J. D. and Willett, P. J., Definitions of dissimilarity for dissimilarity-based compound selection, J. Biomol. Screening, 1 (1996) 145-151.
-
(1996)
J. Biomol. Screening
, vol.1
, pp. 145-151
-
-
Holliday, J.D.1
Willett, P.J.2
-
73
-
-
2342609756
-
-
Tripos, Inc., St. Louis, MO
-
Tripos, Inc., St. Louis, MO.
-
-
-
-
75
-
-
2342491452
-
-
December 11-12, Coronado, CA
-
Nayeem, A., Heritage, T. and Hurst, T., IBC 6-th Annual Conference on Rational Drug Design, December 11-12, 1996, Coronado, CA.
-
(1996)
IBC 6-th Annual Conference on Rational Drug Design
-
-
Nayeem, A.1
Heritage, T.2
Hurst, T.3
-
76
-
-
2342606423
-
-
December 11-12, Coronado, CA
-
Sage, C. R. and Ghuloum, A. M., IBC 6-th Annual Conference on Rational Drug Design, December 11-12, 1996, Coronado, CA.
-
(1996)
IBC 6-th Annual Conference on Rational Drug Design
-
-
Sage, C.R.1
Ghuloum, A.M.2
-
77
-
-
2342666591
-
-
December 11-12, Coronado, CA
-
Mount, J., Ruppert, J., Welch, W. and Jain, A., IBC 6-th Annual Conference on Rational Drug Design, December 11-12, 1996, Coronado, CA.
-
(1996)
IBC 6-th Annual Conference on Rational Drug Design
-
-
Mount, J.1
Ruppert, J.2
Welch, W.3
Jain, A.4
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