-
1
-
-
0002656809
-
Designing Chemical Libraries for Lead Discovery
-
Ferguson, A. M.; Patterson, D. E.; Garr, C.; Underiner, T. Designing Chemical Libraries for Lead Discovery. J. Biomol. Screen. 1996, 1, 65-73.
-
(1996)
J. Biomol. Screen.
, vol.1
, pp. 65-73
-
-
Ferguson, A.M.1
Patterson, D.E.2
Garr, C.3
Underiner, T.4
-
2
-
-
77956847917
-
Recent Advances in the Generation of Molecular Diversity
-
(a) Moos, W. H.; Green, G. D.; Pavia, M. R. Recent Advances in the Generation of Molecular Diversity. Annu. Rep. Med. Chem. 1993, 28, 315-324.
-
(1993)
Annu. Rep. Med. Chem.
, vol.28
, pp. 315-324
-
-
Moos, W.H.1
Green, G.D.2
Pavia, M.R.3
-
3
-
-
0002100872
-
Descriptors for diversity analysis
-
(b) Brown, R. D. Descriptors for diversity analysis. Perspect. Drug Discuss. Des. 1997, 718, 31-49.
-
(1997)
Perspect. Drug Discuss. Des.
, vol.718
, pp. 31-49
-
-
Brown, R.D.1
-
4
-
-
0001094338
-
Quantifying Diversity
-
Gordon, E. M., Kerwin, J. F., Jr., Eds.; Wiley: New York
-
(c) Martin, Y. C.; Brown, R. D.; Bures, M. G. Quantifying Diversity. In Combinatorial Chemistry and Molecular Diversity in Drug Discovery; Gordon, E. M., Kerwin, J. F., Jr., Eds.; Wiley: New York, 1998; pp 369-385.
-
(1998)
Combinatorial Chemistry and Molecular Diversity in Drug Discovery
, pp. 369-385
-
-
Martin, Y.C.1
Brown, R.D.2
Bures, M.G.3
-
5
-
-
0032087816
-
Computational methods in molecular diversity and combinatorial chemistry
-
(d) Bures, M. G.; Martin, Y. C. Computational methods in molecular diversity and combinatorial chemistry. Curr. Opin. Chem. Biol. 1998, 2, 376-380.
-
(1998)
Curr. Opin. Chem. Biol.
, vol.2
, pp. 376-380
-
-
Bures, M.G.1
Martin, Y.C.2
-
7
-
-
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
-
8
-
-
0029783934
-
Neighborhood Behavior: A Useful Concept for Validation of "Molecular Diversity" Descriptors
-
(a) 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
-
9
-
-
0042048782
-
Similarity and cluster analysis applied to molecular diversity
-
Anaheim, CA, COMP3
-
(b) Brown, R. D.; Bures, M. G.; Martin, Y. C. Similarity and cluster analysis applied to molecular diversity, American Chemical Society Meeting, Anaheim, CA, 1995, COMP3.
-
(1995)
American Chemical Society Meeting
-
-
Brown, R.D.1
Bures, M.G.2
Martin, Y.C.3
-
10
-
-
0342645323
-
Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
-
(c) 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
-
11
-
-
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
-
12
-
-
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
-
15
-
-
0028243847
-
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
-
(a) Gallop, M. A.; Barrett, R. W.; Dower, W. J.; Fodor, S. P. A.; Gordon, E. M. Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries. J. Med. Chem. 1994, 37, 1233-1251.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1233-1251
-
-
Gallop, M.A.1
Barrett, R.W.2
Dower, W.J.3
Fodor, S.P.A.4
Gordon, E.M.5
-
16
-
-
0028318863
-
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
-
(b) Gordon, E. M.; Barrett, R. W.; Dower, W. J.; Fodor, S. P. A.; Gallop, M. A. Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions. J. Med. Chem. 1994, 37, 1385-1399.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1385-1399
-
-
Gordon, E.M.1
Barrett, R.W.2
Dower, W.J.3
Fodor, S.P.A.4
Gallop, M.A.5
-
17
-
-
34249766325
-
Synthetic combinatorial libraries: Views on techniques and their applications
-
(c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic combinatorial libraries: Views on techniques and their applications. Persp. Drug Discovery Des. 1995, 2, 269-285.
-
(1995)
Persp. Drug Discovery Des.
, vol.2
, pp. 269-285
-
-
Madden, D.1
Krchnak, V.2
Lebl, M.3
-
18
-
-
2842561522
-
Design, Synthesis and Evaluation of Small-Molecule Libraries
-
(d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143.
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 132-143
-
-
Ellman, J.A.1
-
19
-
-
0000074870
-
Strategy and Tactics in Combinatorial Organic Synthesis. Application to Drug Discovery
-
(e) Gordon, E. M.; Gallop, M. A.; Patel, D. V. Strategy and Tactics in Combinatorial Organic Synthesis. Application to Drug Discovery. Acc. Chem. Res. 1996, 29, 144-154.
-
(1996)
Acc. Chem. Res.
, vol.29
, pp. 144-154
-
-
Gordon, E.M.1
Gallop, M.A.2
Patel, D.V.3
-
21
-
-
84984376233
-
New Molecular Descriptors for 2D and 3D Structures. Theory
-
(a) Todeschini, R.; Lasagni M.; Marengo, E. New Molecular Descriptors for 2D and 3D Structures. Theory. J. Chemom. 1994, 8, 263-272.
-
(1994)
J. Chemom.
, vol.8
, pp. 263-272
-
-
Todeschini, R.1
Lasagni, M.2
Marengo, E.3
-
22
-
-
0028819599
-
Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons
-
(b) Todeschini, R.; Gramatica, P.; Provenzani, R.; Marengo, E. Weighted holistic invariant molecular descriptors. Part 2. Theory development and applications on modeling physicochemical properties of polyaromatic hydrocarbons. Chemom. Intell. Lab. Syst. 1995, 27, 221-229.
-
(1995)
Chemom. Intell. Lab. Syst.
, vol.27
, pp. 221-229
-
-
Todeschini, R.1
Gramatica, P.2
Provenzani, R.3
Marengo, E.4
-
23
-
-
0029930764
-
Modeling and prediction by using WHIM descriptors in QSAR studies: Submitochondrial particles (SMP) as toxicity biosensors of chlorphenols
-
(c) Todeschini, R.; Bettiol, C.; Giurin, G.; Gramatica, P.; Miana, P.; Argese, E. Modeling and prediction by using WHIM descriptors in QSAR studies: Submitochondrial particles (SMP) as toxicity biosensors of chlorphenols. Chemosphere 1996, 33, 71-79.
-
(1996)
Chemosphere
, vol.33
, pp. 71-79
-
-
Todeschini, R.1
Bettiol, C.2
Giurin, G.3
Gramatica, P.4
Miana, P.5
Argese, E.6
-
24
-
-
0023751431
-
Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of. Steroids to Carrier Proteins
-
Cramer, R. D.; Patterson, D. E.; Bunce, J. E. Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of. Steroids to Carrier Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.E.3
-
25
-
-
0041446875
-
Comparative Molecular Field Analysis (CoMFA). 2. Towards its use with 3D-Structural Databases
-
Clark, M.; Cramer, R. D.; Jones, D. M.; Patterson, D. E.; Simeroth, P. E. Comparative Molecular Field Analysis (CoMFA). 2. Towards its use with 3D-Structural Databases. Tetrahedron. Comput. Methodol. 1990, 3, 47-59.
-
(1990)
Tetrahedron. Comput. Methodol.
, vol.3
, pp. 47-59
-
-
Clark, M.1
Cramer, R.D.2
Jones, D.M.3
Patterson, D.E.4
Simeroth, P.E.5
-
26
-
-
0001057103
-
The Autocorrelation of a Topological Structure: A New Molecular Descriptor
-
(a) Moreau, G.; Broto, P. The Autocorrelation of a Topological Structure: A New Molecular Descriptor. Nouv. J. Chim. 1980, 4, 359-360.
-
(1980)
Nouv. J. Chim.
, vol.4
, pp. 359-360
-
-
Moreau, G.1
Broto, P.2
-
27
-
-
0001486261
-
Autocorrelation of Molecular Structures, Application to SAR Studies
-
(b) Moreau, G.; Broto, P. Autocorrelation of Molecular Structures, Application to SAR Studies. Nouv. J. Chim. 1980, 4, 757-764.
-
(1980)
Nouv. J. Chim.
, vol.4
, pp. 757-764
-
-
Moreau, G.1
Broto, P.2
-
28
-
-
0021363878
-
Molecular Structures: Perception, Autocorrelation Descriptor and SAR Studies
-
(c) Broto, P.; Moreau, G.; Vandycke, C. Molecular Structures: Perception, Autocorrelation Descriptor and SAR Studies. Eur. J. Med. Chem. 1984, 19, 66-70.
-
(1984)
Eur. J. Med. Chem.
, vol.19
, pp. 66-70
-
-
Broto, P.1
Moreau, G.2
Vandycke, C.3
-
29
-
-
0028851251
-
Autocorrelation of Molecular Surface Properties for Molecular Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
-
Wagener, M.; Sadowski, J.; Gasteiger J. Autocorrelation of Molecular Surface Properties for Molecular Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks. J. Am. Chem. Soc. 1995, 117, 7769-7775.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7769-7775
-
-
Wagener, M.1
Sadowski, J.2
Gasteiger, J.3
-
30
-
-
0029742341
-
Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single "Topomeric" Conformers
-
(a) 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
-
31
-
-
0346057738
-
Bioisosterism and molecular diversity
-
(3D QSAR in Drug Design: Ligand/Protein Interactions and Molecular Similarity)
-
(b) Clark, R. D.; Ferguson, A. M.; Cramer, R. D. Bioisosterism and molecular diversity. Perspect. Drug Discovery Des. 1998, 9-11 (3D QSAR in Drug Design: Ligand/Protein Interactions and Molecular Similarity), 213-224.
-
(1998)
Perspect. Drug Discovery Des.
, vol.9-11
, pp. 213-224
-
-
Clark, R.D.1
Ferguson, A.M.2
Cramer, R.D.3
-
32
-
-
0002960718
-
New Perspectives in Lead Generation. D. Evaluating Molecular Diversity
-
Ashton, M. J.; Jaye, M. C., Mason, J. S. New Perspectives in Lead Generation. D. Evaluating Molecular Diversity. Drug Discovery Today 1996, 2, 71-78.
-
(1996)
Drug Discovery Today
, vol.2
, pp. 71-78
-
-
Ashton, M.J.1
Jaye, M.C.2
Mason, J.S.3
-
33
-
-
0000465937
-
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
-
Pickett, S. D.; Mason, J. S.; McLay, I. M. Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ). J. Chem. Inf. Comput. Sci. 1996, 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
-
34
-
-
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
-
35
-
-
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
-
36
-
-
0010304362
-
Using pharmacophore diversity to select molecules to test from commercial catalogs, including DIVERSet and HTS Chemicals
-
Chaiken, I. M., Janda, K. D., Eds.; American Chemical Society: Washington, D.C.
-
Davies, K. Using pharmacophore diversity to select molecules to test from commercial catalogs, including DIVERSet and HTS Chemicals. In Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery; Chaiken, I. M., Janda, K. D., Eds.; American Chemical Society: Washington, D.C., 1996; pp 309-316.
-
(1996)
Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery
, pp. 309-316
-
-
Davies, K.1
-
37
-
-
0042048778
-
-
available from Chemical Design Ltd.: Oxon, U.K.
-
ChemDiverse, available from Chemical Design Ltd.: Oxon, U.K., 1996.
-
(1996)
ChemDiverse
-
-
-
38
-
-
85034150545
-
-
Tripos, Inc.: St. Louis, MO
-
Selector, Tripos, Inc.: St. Louis, MO, 1996.
-
(1996)
Selector
-
-
-
39
-
-
84955057188
-
New Pharmacophore-Based Methods for Molecular Similarity Applications and to Design Diverse and Biased Libraries
-
Mason, J. S. New Pharmacophore-Based Methods for Molecular Similarity Applications and to Design Diverse and Biased Libraries. J. Mol. Graph. 1998, 16, 51.
-
(1998)
J. Mol. Graph.
, vol.16
, pp. 51
-
-
Mason, J.S.1
-
41
-
-
0022620276
-
Comparison of Some Measures for the Determination of Intermolecular Structural Similarity
-
(b) Willett, P.; Winterman, V. A. Comparison of Some Measures for the Determination of Intermolecular Structural Similarity. Quant. Struct.-Activ. Relat. 1986, 5, 18-25.
-
(1986)
Quant. Struct.-Activ. Relat.
, vol.5
, pp. 18-25
-
-
Willett, P.1
Winterman, V.A.2
-
42
-
-
0029610459
-
A Fast Algorithm for Selecting Sets of Dissimilar Molecules from Large Chemical Data-bases
-
Holliday, J. D.; Ranade, S. S.; Willett, P. A Fast Algorithm for Selecting Sets of Dissimilar Molecules from Large Chemical Data-bases. Quant. Struct.-Activ. Relat. 1996, 14, 501-506.
-
(1996)
Quant. Struct.-Activ. Relat.
, vol.14
, pp. 501-506
-
-
Holliday, J.D.1
Ranade, S.S.2
Willett, P.3
-
43
-
-
0005689810
-
Compound Libraries for Lead Discovery
-
Matter, H.; Lassen, D. Compound Libraries for Lead Discovery. Chim. Oggi 1996, 14, 9-15.
-
(1996)
Chim. Oggi
, vol.14
, pp. 9-15
-
-
Matter, H.1
Lassen, D.2
-
46
-
-
0343869724
-
SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation
-
Ash, S.; Cline, M. A.; Homer, W.; Hurst, T.; Smith, G. B. SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation. J. Chem. Inf. Comput. Sci. 1997, 37, 71-79.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 71-79
-
-
Ash, S.1
Cline, M.A.2
Homer, W.3
Hurst, T.4
Smith, G.B.5
-
49
-
-
0027548454
-
A fast new approach to pharmacophore mapping and its application to doparninergic and benzodiazepine agonists
-
Martin, Y. C.; Bures, M. G.; Danaher, E. A.; DeLazzer, J.; Lico, I.; Pavlik, P. A. A fast new approach to pharmacophore mapping and its application to doparninergic and benzodiazepine agonists. J. Comput.-Aided Mol. Des. 1993, 7, 83-102.
-
(1993)
J. Comput.-Aided Mol. Des.
, vol.7
, pp. 83-102
-
-
Martin, Y.C.1
Bures, M.G.2
Danaher, E.A.3
DeLazzer, J.4
Lico, I.5
Pavlik, P.A.6
-
50
-
-
0043050409
-
-
Tripos., Inc.: St. Louis, MO
-
Pearlman, R. S.; Balducci, R.; Rusinko, A.; Skell, J. M.; Smith, K. N. CONCORD, program version 3.2.1; Tripos., Inc.: St. Louis, MO, 1996.
-
(1996)
CONCORD, Program Version 3.2.1
-
-
Pearlman, R.S.1
Balducci, R.2
Rusinko, A.3
Skell, J.M.4
Smith, K.N.5
-
51
-
-
0028337945
-
Flexible 3D Searching: The Directed Tweak Technique
-
Hurst, T. Flexible 3D Searching: The Directed Tweak Technique. J. Chem. Inf. Comput. Sci. 1994, 34, 190-196.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 190-196
-
-
Hurst, T.1
-
52
-
-
0024572818
-
Implementing Drug Screening Programs using Molecular Similarity Methods
-
Fauchere, J. L., Ed.; Alan R. Liss Inc.: New York
-
Lajiness, M.; Johnson, M. A.; Maggiora, G. M. Implementing Drug Screening Programs using Molecular Similarity Methods. In QSAR: Quantitative Structure-Activity Relationships in Drug Design; Fauchere, J. L., Ed.; Alan R. Liss Inc.: New York, 1989; pp 173-176.
-
(1989)
QSAR: Quantitative Structure-Activity Relationships in Drug Design
, pp. 173-176
-
-
Lajiness, M.1
Johnson, M.A.2
Maggiora, G.M.3
-
53
-
-
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. 1995, 35, 59-67.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 59-67
-
-
Taylor, R.1
-
54
-
-
0002046725
-
Dissimilarity-based compound selection techniques
-
Lajiness, M. S. Dissimilarity-based compound selection techniques. Perspect. Drug Discuss. Des. 1997, 7/8, 65-84.
-
(1997)
Perspect. Drug Discuss. Des.
, vol.7-8
, pp. 65-84
-
-
Lajiness, M.S.1
-
55
-
-
0029610459
-
A fast algorithm for selecting sets of dissimilar molecules from large chemical databases
-
Holliday, J. D.; Ranade, S. S., Willett, P. A fast algorithm for selecting sets of dissimilar molecules from large chemical databases. Quant. Struct.-Act. Relat. 1995, 14, 501-506.
-
(1995)
Quant. Struct.-Act. Relat.
, vol.14
, pp. 501-506
-
-
Holliday, J.D.1
Ranade, S.S.2
Willett, P.3
-
56
-
-
0031370668
-
Comparison of algorithms for dissimilarity-based compound selection
-
Snarey, M.; Terrett, N. K.; Willett, P.; Wilton, D. J. Comparison of algorithms for dissimilarity-based compound selection. J. Mol. Graph. 1997, 15, 372-385.
-
(1997)
J. Mol. Graph.
, vol.15
, pp. 372-385
-
-
Snarey, M.1
Terrett, N.K.2
Willett, P.3
Wilton, D.J.4
-
58
-
-
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
-
59
-
-
0346777857
-
-
Institute for Scientific Information, Inc. (ISI): Philadelphia, PA, 1993
-
Index Chemical Database-Subset from 1993; Institute for Scientific Information, Inc. (ISI): Philadelphia, PA, 1993.
-
(1993)
Index Chemical Database-Subset from
-
-
-
60
-
-
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
-
61
-
-
0027183015
-
3D-QSAR of Angiotensin-Converting Enzyme and Thermolysin Inhibitors: A Comparison of CoMFa Models Based on Deduced and Experimentally Determined Active Site Geometries
-
DePriest, S. A.; Mayer, D.; Naylor, C. B.; Marshall, G. R. 3D-QSAR of Angiotensin-Converting Enzyme and Thermolysin Inhibitors: A Comparison of CoMFA Models Based on Deduced and Experimentally Determined Active Site Geometries. J. Am. Chem. Soc. 1993, 115, 5372-5384.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5372-5384
-
-
Depriest, S.A.1
Mayer, D.2
Naylor, C.B.3
Marshall, G.R.4
-
62
-
-
0023232669
-
Principal property values for six nonnatural amino acids and their application to a structure-activity relationship for oxytocin peptide analogues
-
Wold, S.; Eriksson, L.; Hellberg, S.; Jonsson, J.; Sjöström, M.; Skagerberg, B.; Wikström, C. Principal property values for six nonnatural amino acids and their application to a structure-activity relationship for oxytocin peptide analogues. Can. J. Chem. 1987, 65, 1814-1820.
-
(1987)
Can. J. Chem.
, vol.65
, pp. 1814-1820
-
-
Wold, S.1
Eriksson, L.2
Hellberg, S.3
Jonsson, J.4
Sjöström, M.5
Skagerberg, B.6
Wikström, C.7
-
63
-
-
7844234204
-
-
Horowitz, Z. P., Ed.; Urban & Schwarzenberg: Baltimore, MD
-
Cushman, D. W.; Cheung, H.-S.; Sabo, E. F.; Ondetti, M. A. 1981, in Proceedings of the A. N. Richards Symposium, May 8-9, 1980; Horowitz, Z. P., Ed.; Urban & Schwarzenberg: Baltimore, MD, 1980; pp 3-25.
-
(1980)
Proceedings of the A. N. Richards Symposium, May 8-9, 1980
-
-
Cushman, D.W.1
Cheung, H.-S.2
Sabo, E.F.3
Ondetti, M.A.4
-
65
-
-
85034140173
-
3D descriptors that outperform substructures in diversity analysis
-
Las Vegas, NV, American Chemical Society: Washington, DC, 1997; CINF-046
-
Martin, Y. C.; Brown, R. D.; Danaher, E. A.; DeLazzer, J., Lico, I. 3D descriptors that outperform substructures in diversity analysis. Book of Abstracts, 214th ACS National Meeting, Las Vegas, NV, 1997; American Chemical Society: Washington, DC, 1997; CINF-046.
-
(1997)
Book of Abstracts, 214th ACS National Meeting
-
-
Martin, Y.C.1
Brown, R.D.2
Danaher, E.A.3
DeLazzer, J.4
Lico, I.5
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