-
1
-
-
0345178999
-
Modal fingerprints and topological diversity
-
San Francisco, CA, American Chemical Society, CINF7
-
Blankley, C. J. (1997) Modal fingerprints and topological diversity. 213th National ACS Meeting, San Francisco, CA, American Chemical Society, CINF7
-
(1997)
213th National ACS Meeting
-
-
Blankley, C.J.1
-
2
-
-
0029744121
-
Molecular similarity based on DOCK-generated fingerprints
-
Briem, H., Kuntz, I. D. (1996) Molecular similarity based on DOCK-generated fingerprints. J. Med. Chem. 39: 3401-3408
-
(1996)
J. Med. Chem.
, vol.39
, pp. 3401-3408
-
-
Briem, H.1
Kuntz, I.D.2
-
3
-
-
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. (1996) Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection. J. Chem. Inf. Comput. Sci. 36: 572-584
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-584
-
-
Brown, R.D.1
Martin, Y.C.2
-
4
-
-
5244364312
-
The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding
-
Brown, R. D., Martin, Y. C. (1997) The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding. J. Chem. Inf. Comput. Sci 37: 1-9
-
(1997)
J. Chem. Inf. Comput. Sci
, vol.37
, pp. 1-9
-
-
Brown, R.D.1
Martin, Y.C.2
-
5
-
-
0030202291
-
Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds
-
Delaney, J. S. (1995) Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds. Mol. Diversity 1: 217-222
-
(1995)
Mol. Diversity
, vol.1
, pp. 217-222
-
-
Delaney, J.S.1
-
6
-
-
0000528756
-
The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries
-
Gillet, V. J., Willett, P., Bradshaw, J. (1997) The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries. J. Chem. Inf. Comput. Sci. 37: 731-740
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 731-740
-
-
Gillet, V.J.1
Willett, P.2
Bradshaw, J.3
-
7
-
-
0001526833
-
Definitions of 'dissimilarity' for dissimilarity-based compound selection
-
Holliday, J. D., Willett, P. (1996) Definitions of 'dissimilarity' for dissimilarity-based compound selection. J. Biomol. Screening 1: 145-151
-
(1996)
J. Biomol. Screening
, vol.1
, pp. 145-151
-
-
Holliday, J.D.1
Willett, P.2
-
8
-
-
0029841885
-
Parameter based methods for compound selection from chemical databases
-
Hudson, B. D., Hyde, R. M., Rahr, E., Wood, J., Osman, J. (1996) Parameter based methods for compound selection from chemical databases. Quant. Struct. Act. Relat. 15: 285-289
-
(1996)
Quant. Struct. Act. Relat.
, vol.15
, pp. 285-289
-
-
Hudson, B.D.1
Hyde, R.M.2
Rahr, E.3
Wood, J.4
Osman, J.5
-
9
-
-
0344748838
-
HQSAR-a highly predictive QSAR technique based on molecular holograms
-
San Francisco, CA, American Chemical Society, Washington, CINF19
-
Hurst, T., Heritage, T. (1997) HQSAR-a highly predictive QSAR technique based on molecular holograms. 213th National ACS Meeting, San Francisco, CA, American Chemical Society, Washington, CINF19
-
(1997)
213th National ACS Meeting
-
-
Hurst, T.1
Heritage, T.2
-
10
-
-
84951858145
-
A general view on similarity and QSAR studies
-
van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Wiley-VCH, Weinheim
-
Kubinyi, H. (1997) A general view on similarity and QSAR studies. In: van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Computer-Assisted Lead Finding and Optimization. Wiley-VCH, Weinheim, pp 7-28
-
(1997)
Computer-Assisted Lead Finding and Optimization
, pp. 7-28
-
-
Kubinyi, H.1
-
11
-
-
0031007699
-
Quantitative structure-activity relationship (QSAR) analysis for a series of rodent peroxisome proliferators: Interaction with the mouse liver peroxisome proliferator-activated receptor a (mPPAR a)
-
Lewis, D. F. V., Lake, B. G. (1997) Quantitative structure-activity relationship (QSAR) analysis for a series of rodent peroxisome proliferators: interaction with the mouse liver peroxisome proliferator-activated receptor a (mPPAR a). Toxicol. In Vitro 11: 99-105
-
(1997)
Toxicol. in Vitro
, vol.11
, pp. 99-105
-
-
Lewis, D.F.V.1
Lake, B.G.2
-
12
-
-
84951827388
-
Quantification of molecular similarity and its application to combinatorial chemistry
-
van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Wiley-VCH, Weinheim
-
Lewis, R. A., Good, A. C., Pickett, S. D. (1997) Quantification of molecular similarity and its application to combinatorial chemistry. In: van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Computer-Assisted Lead Finding and Optimization. Wiley-VCH, Weinheim, pp 135-156
-
(1997)
Computer-Assisted Lead Finding and Optimization
, pp. 135-156
-
-
Lewis, R.A.1
Good, A.C.2
Pickett, S.D.3
-
13
-
-
84951736607
-
Intelligent combinatorial libraries
-
van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Wiley-VCH, Weinheim
-
Lundstedt, T., Clementi, S., Cruciani, G., Pastoe, M., Kettaneh, N., Andersson, P. M., Linnusson, A., Sjostrom, M., Wold, S., Norden, B. (1997) Intelligent combinatorial libraries. In: van de Waterbeemd, H., Testa, B., Folkers, G. (eds) Computer-Assisted Lead Finding and Optimization. Wiley-VCH, Weinheim, pp 189-208
-
(1997)
Computer-Assisted Lead Finding and Optimization
, pp. 189-208
-
-
Lundstedt, T.1
Clementi, S.2
Cruciani, G.3
Pastoe, M.4
Kettaneh, N.5
Andersson, P.M.6
Linnusson, A.7
Sjostrom, M.8
Wold, S.9
Norden, B.10
-
14
-
-
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., Moss, W. H. (1995) Measuring diversity: experimental design of combinatorial libraries for drug discovery. J. Med. Chem. 38: 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
Moss, W.H.6
-
15
-
-
0030943408
-
Selecting optimally diverse compounds from structure databases: A validation study of two-dimensional and three-dimensional molecular descriptors
-
Matter, H. (1997) Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors. J. Med. Chem. 40: 1219-1229
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1219-1229
-
-
Matter, H.1
-
16
-
-
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. (1996) Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors. J. Med. Chem. 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
-
17
-
-
0344316541
-
Novel software tools for combinatorial chemistry and chemical diversity
-
New Orleans, LA, American Chemical Society, Washington, CINF65
-
Pearlman, R. S., Stewart, E. L., Smith, K. M., Balducci, R. (1996) Novel software tools for combinatorial chemistry and chemical diversity. 211th ACS National Meeting, New Orleans, LA, American Chemical Society, Washington, CINF65
-
(1996)
211th ACS National Meeting
-
-
Pearlman, R.S.1
Stewart, E.L.2
Smith, K.M.3
Balducci, R.4
-
18
-
-
0000465937
-
Diversity profiling and design using 3D pharmacophores: Pharmacophore-derived queries (PDQ)
-
Pickett, S. D., Mason, J. S., McLay, I. M. (1996) Diversity profiling and design using 3D pharmacophores: pharmacophore-derived queries (PDQ). J. Chem. Inf. Comput. Sci. 36: 1214-1223
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 1214-1223
-
-
Pickett, S.D.1
Mason, J.S.2
McLay, I.M.3
-
19
-
-
0011884276
-
The design of test series and the significance of QSAR relationships
-
Ramsden, C. A. (ed) Pergamon Press, Oxford
-
Pleiss, M. A., Unger, S. H. (1990) The design of test series and the significance of QSAR relationships. In: Ramsden, C. A. (ed) Quantitative Drug Design 4. Pergamon Press, Oxford, pp 561-587
-
(1990)
Quantitative Drug Design
, vol.4
, pp. 561-587
-
-
Pleiss, M.A.1
Unger, S.H.2
-
20
-
-
0001568787
-
LiBrain: Software for automated design of exploratory and targeted combinatorial libraries
-
American Chemical Society, Washington
-
Polinsky, A., Feinstein, R. D., Shi, S., Kuki, A. (1996) LiBrain: software for automated design of exploratory and targeted combinatorial libraries. Mol. Diversity Comb. Chem. Libr. Drug Discovery Conference, American Chemical Society, Washington, D 219-232
-
(1996)
Mol. Diversity Comb. Chem. Libr. Drug Discovery Conference
-
-
Polinsky, A.1
Feinstein, R.D.2
Shi, S.3
Kuki, A.4
-
21
-
-
0030191311
-
Stigmata: An algorithm to determine structural commonalities in diverse datasets
-
Shemetulskis, N. E., Weininger, D., Blankley, C. J., Yang, J. J., Humblet, C. (1996) Stigmata: an algorithm to determine structural commonalities in diverse datasets. J. Chem. Inf. Comput. Sci. 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
-
22
-
-
0029271228
-
Using a genetic algorithm to suggest combinatorial libraries
-
Sheridan, R. P., Kearsley, S. K. (1995) Using a genetic algorithm to suggest combinatorial libraries. J. Chem. Inf. Comput. Sci. 35: 310-20
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 310-320
-
-
Sheridan, R.P.1
Kearsley, S.K.2
-
23
-
-
0001375857
-
Combinatorial chemistry and molecular diversity. An overview
-
Warr, W. A. (1997) Combinatorial chemistry and molecular diversity. An overview. J. Chem. Inf. Comput. Sci. 37: 134-140
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 134-140
-
-
Warr, W.A.1
|