-
1
-
-
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
-
2
-
-
0030943408
-
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors
-
Matter, H. Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors. J. Med. Chem. 1997, 40, 1219-1229.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1219-1229
-
-
Matter, H.1
-
3
-
-
0029240364
-
Predicting Ligand Binding to Proteins by Affinity Fingerprinting
-
Kauvar, L. M.; Higgins, D. L.; Villar, H. O.; Sportsman, J. R.; Engvist-Goldstein, A.; Bukar, R.; Bauer, K. E.; Dilley, H.; Rocke, D. M. Predicting Ligand Binding to Proteins by Affinity Fingerprinting. Chem. Biol. 1995, 2, 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
Engvist-Goldstein, A.5
Bukar, R.6
Bauer, K.E.7
Dilley, H.8
Rocke, D.M.9
-
4
-
-
0344370184
-
-
Molecular Design Ltd.: 14600 Catalina Street, San Leandro, CA 94577
-
ISIS/Base 2.1.3; Molecular Design Ltd.: 14600 Catalina Street, San Leandro, CA 94577.
-
ISIS/Base 2.1.3
-
-
-
5
-
-
0542438562
-
Quantifying Diversity
-
Kerwin, J. F., Gordon, E. M., Eds.; John Wiley & Sons: New York
-
Martin, Y. C.; Brown, R. D.; Bures, M. G. Quantifying Diversity. In Combinatorial Chemistry and Molecular Diversity; Kerwin, J. F., Gordon, E. M., Eds.; John Wiley & Sons: New York, 1997.
-
(1997)
Combinatorial Chemistry and Molecular Diversity
-
-
Martin, Y.C.1
Brown, R.D.2
Bures, M.G.3
-
6
-
-
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.; Moos, W. H. Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery. J. Med. Chem. 1995, 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
Moos, W.H.6
-
7
-
-
0030341922
-
The Measurement of Molecular Diversity: A Three-Dimensional Approach
-
Chapman, D. The Measurement of Molecular Diversity: A Three-Dimensional Approach. J. Comput.-Aided Mol. Design 1996, 10, 501-512.
-
(1996)
J. Comput.-Aided Mol. Design
, vol.10
, pp. 501-512
-
-
Chapman, D.1
-
8
-
-
0032509984
-
Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases
-
Pötter, T.; Matter, H. Random or Rational Design? Evaluation of Diverse Compound Subsets from Chemical Structure Databases. J. Med. Chem. 1998, 41, 478-488.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 478-488
-
-
Pötter, T.1
Matter, H.2
-
9
-
-
0000191614
-
Stochastic Algorithms for Maximizing Molecular Diversity
-
Agrafiotis, D. K. Stochastic Algorithms for Maximizing Molecular Diversity. J. Chem. Inf. Comput. Sci. 1997, 37, 841-851.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 841-851
-
-
Agrafiotis, D.K.1
-
10
-
-
85138962150
-
Molecular Diversity Assessment: Logarithmic Relationships of Information and Species Diversity and Logarithmic Relations of Entropy and Indistinguishability after Rejection of Gibbs Paradox of Entropy and Mixing
-
Lin, S. K. Molecular Diversity Assessment: Logarithmic Relationships of Information and Species Diversity and Logarithmic Relations of Entropy and Indistinguishability after Rejection of Gibbs Paradox of Entropy and Mixing. Molecules 1996, 1, 57-67.
-
(1996)
Molecules
, vol.1
, pp. 57-67
-
-
Lin, S.K.1
-
11
-
-
0030191461
-
Molecular Diversity in Chemical Databases: Comparison of Chemistry Bases and Databases of Commercially Available Compounds
-
Cummins, D. J.; Andrews, C. W.; Bentley, J. A.; Cory, M. Molecular Diversity in Chemical Databases: Comparison of Chemistry Bases and Databases of Commercially Available Compounds. J. Chem. Inf. Comput. Sci. 1996, 36, 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
-
12
-
-
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. 1997, 37, 576-580.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 576-580
-
-
Agrafiotis, D.K.1
-
14
-
-
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
-
15
-
-
0002100872
-
Descriptors for Diversity Analysis
-
Brown, R. D. Descriptors for Diversity Analysis. Perspect. Drug Discov. Design 1997, 718, 31-49.
-
(1997)
Perspect. Drug Discov. Design
, vol.718
, pp. 31-49
-
-
Brown, R.D.1
-
16
-
-
0642332202
-
Computational Tools for the Analysis of Molecular Diversity
-
Willett, P. Computational Tools for the Analysis of Molecular Diversity. Perspect. Drug Discov. Design 1997, 7/8, 1-11.
-
(1997)
Perspect. Drug Discov. Design
, vol.7-8
, pp. 1-11
-
-
Willett, P.1
-
17
-
-
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
|