-
2
-
-
0028243847
-
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
-
For recent reviews, see: (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. (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. (c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic Combinatorial Libraries; Views on Techniques and Their Applications. Persp. Drug Discovery Des. 1995, 2, 269-285. (d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143. (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.
-
(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
-
3
-
-
0028318863
-
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
-
For recent reviews, see: (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. (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. (c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic Combinatorial Libraries; Views on Techniques and Their Applications. Persp. Drug Discovery Des. 1995, 2, 269-285. (d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143. (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.
-
(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
-
4
-
-
34249766325
-
Synthetic Combinatorial Libraries; Views on Techniques and Their Applications
-
For recent reviews, see: (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. (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. (c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic Combinatorial Libraries; Views on Techniques and Their Applications. Persp. Drug Discovery Des. 1995, 2, 269-285. (d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143. (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.
-
(1995)
Persp. Drug Discovery Des.
, vol.2
, pp. 269-285
-
-
Madden, D.1
Krchnak, V.2
Lebl, M.3
-
5
-
-
2842561522
-
Design, Synthesis and Evaluation of Small-Molecule Libraries
-
For recent reviews, see: (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. (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. (c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic Combinatorial Libraries; Views on Techniques and Their Applications. Persp. Drug Discovery Des. 1995, 2, 269-285. (d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143. (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. 132-143
-
-
Ellman, J.A.1
-
6
-
-
0000074870
-
Strategy and Tactics in Combinatorial Organic Synthesis. Application to Drug Discovery
-
For recent reviews, see: (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. (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. (c) Madden, D.; Krchnak, V.; Lebl, M. Synthetic Combinatorial Libraries; Views on Techniques and Their Applications. Persp. Drug Discovery Des. 1995, 2, 269-285. (d) Ellman, J. A. Design, Synthesis and Evaluation of Small-Molecule Libraries. Acc. Chem. Res. 1996, 29, 132-143. (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
-
7
-
-
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, 7,65-73.
-
(1996)
J. Biomol. Screen.
, vol.7
, pp. 65-73
-
-
Ferguson, A.M.1
Patterson, D.E.2
Garr, C.3
Underiner, T.4
-
8
-
-
77956847917
-
Recent Advances in the Generation of Molecular Diversity
-
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
-
9
-
-
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
-
11
-
-
0029783934
-
Neighborhood Behavior: A Useful Concept for Validation of Molecular Diversity Descriptors
-
(a) Patterson, D. E.; Cramer, R. D., III; 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 III, R.D.2
Ferguson, A.M.3
Clark, R.D.4
Weinberger, L.E.5
-
12
-
-
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. Presented at the 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
-
13
-
-
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, 572-684.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-684
-
-
Brown, R.D.1
Martin, Y.C.2
-
14
-
-
0030943408
-
Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of 2D and 3D Molecular Descriptors
-
(d) Matter, H. Selecting Optimally Diverse Compounds from Structure Databases: A Validation Study of 2D and 3D Molecular Descriptors. J. Med. Chem. 1997, 40, 1219-1229.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 1219-1229
-
-
Matter, H.1
-
16
-
-
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
-
18
-
-
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.-Act. Relat. 1986, 5, 18-25.
-
(1986)
Quant. Struct.-Act. Relat.
, vol.5
, pp. 18-25
-
-
Willett, P.1
Winterman, V.A.2
-
19
-
-
0005689810
-
Compound Libraries for Lead Discovery
-
Matter, H.; Lassen, D. Compound Libraries for Lead Discovery. Chim. Oggi 1996, 14 (6), 9-15.
-
(1996)
Chim. Oggi
, vol.14
, Issue.6
, pp. 9-15
-
-
Matter, H.1
Lassen, D.2
-
23
-
-
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. QSAR 1996, 14, 501-506.
-
(1996)
QSAR
, vol.14
, pp. 501-506
-
-
Holliday, J.D.1
Ranade, S.S.2
Willett, P.3
-
24
-
-
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
-
25
-
-
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
-
26
-
-
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
-
27
-
-
0347408360
-
-
Tripos, Inc.: St. Louis, MO, and references therein
-
SYBYL 6.2, Ligand-Based Design Manual; Tripos, Inc.: St. Louis, MO, 1995; pp 246-255 and references therein.
-
(1995)
SYBYL 6.2, Ligand-Based Design Manual
, pp. 246-255
-
-
-
28
-
-
0023751431
-
Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins
-
Cramer, R. D., III; 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 III, R.D.1
Patterson, D.E.2
Bunce, J.E.3
-
29
-
-
0041446875
-
Comparative Molecular Field Analysis (CoMFA). 2. Towards Its Use with 3D-Structural Databases
-
Clark, M.; Cramer, R. D., III; 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 III, R.D.2
Jones, D.M.3
Patterson, D.E.4
Simeroth, P.E.5
-
30
-
-
0003476917
-
-
ESCOM: Leiden, The Netherlands. This includes many applications and cross-references of the CoMFA methodology in medicinal chemistry
-
3D-QSAR in Drug Design. Theory, Methods and Applications; Kubinyi, H., Ed.; ESCOM: Leiden, The Netherlands, 1993. This includes many applications and cross-references of the CoMFA methodology in medicinal chemistry.
-
(1993)
3D-QSAR in Drug Design. Theory, Methods and Applications
-
-
Kubinyi, H.1
-
31
-
-
0003102794
-
Recommendations for CoMFA Studies and 3D QSAR Publications
-
Kubinyi, H., Ed.; ESCOM: Leiden, The Netherlands
-
(a) Thibaut, U.; Folkers, G.; Klebe, G.; Kubinyi, H.; Merz, A.; Rognan, D. Recommendations for CoMFA Studies and 3D QSAR Publications. In 3D QSAR in Drug Design. Theory, Methods and Applications-, Kubinyi, H., Ed.; ESCOM: Leiden, The Netherlands, 1993; pp 711-717.
-
(1993)
3D QSAR in Drug Design. Theory, Methods and Applications
, pp. 711-717
-
-
Thibaut, U.1
Folkers, G.2
Klebe, G.3
Kubinyi, H.4
Merz, A.5
Rognan, D.6
-
33
-
-
0003146832
-
The Developing Practice of Comparative Molecular Field Analysis
-
(c) Cramer, R. D., III; DePriest, S. A.; Patterson, D. E.; Hecht, P. The Developing Practice of Comparative Molecular Field Analysis. Ibid. pp 443-485.
-
3D QSAR in Drug Design. Theory, Methods and Applications
, pp. 443-485
-
-
Cramer III, R.D.1
Depriest, S.A.2
Patterson, D.E.3
Hecht, P.4
-
34
-
-
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
-
35
-
-
15644372797
-
-
subset from 1993; Institute for ' Scientific Information, Inc. (ISI), 3501 Market St., Philadelphia, PA
-
Index Chemical Database - subset from 1993; Institute for ' Scientific Information, Inc. (ISI), 3501 Market St., Philadelphia, PA.
-
Index Chemical Database
-
-
-
36
-
-
0344275417
-
Design of More Informative Molecules for QSAR Study in a Series of Juvenile Hormones
-
Wermuth, C.-G., Ed.; ESCOM: Leiden, The Netherlands
-
Carpignano, R.; Dolci, M.; Scarfi, D. Design of More Informative Molecules for QSAR Study in a Series of Juvenile Hormones. In Trends in QSAR Molecular Modelling 92, Proceedings of the European Symposium on Structure-Activity Relationships; Wermuth, C.-G., Ed.; ESCOM: Leiden, The Netherlands, 1993.
-
(1993)
Trends in QSAR Molecular Modelling 92, Proceedings of the European Symposium on Structure-Activity Relationships
-
-
Carpignano, R.1
Dolci, M.2
Scarfi, D.3
-
37
-
-
0026842407
-
PLS-Based Quantitative Structure-Activity Relationship for Substituted Benzamides of Clebopride Type
-
Application of Experimental Design in Drug Research.
-
(a) Norinder, U.; Hoegberg, T. PLS-Based Quantitative Structure-Activity Relationship for Substituted Benzamides of Clebopride Type. Application of Experimental Design in Drug Research. Acta Chem. Scand. 1992,46, 363-366.
-
(1992)
Acta Chem. Scand.
, vol.46
, pp. 363-366
-
-
Norinder, U.1
Hoegberg, T.2
-
38
-
-
0026558044
-
Experimental Design-Based Quantitative Structure-Toxicity Relationship of Some Local Anesthetics Using the PLS Method
-
(b) Norinder, U. Experimental Design-Based Quantitative Structure-Toxicity Relationship of Some Local Anesthetics Using the PLS Method.. J. Appl. Toxicol. 1992, 12, 143-147.
-
(1992)
J. Appl. Toxicol.
, vol.12
, pp. 143-147
-
-
Norinder, U.1
-
39
-
-
0026349358
-
An Experimental Design Based Quantitative Structure-Activity Relationship Study on β-Adrenergic Blocking Agents Using PLS
-
(c) Norinder, U. An Experimental Design Based Quantitative Structure-Activity Relationship Study on β-Adrenergic Blocking Agents Using PLS. Drug. Des. Discovery 1991, 8, 127-136. (d) Norinder, U. Experimental Design Based 3D QSAR Analysis of Steroid-Protein Interaction: Application to Human CBG Complexes. J. Comput.-Aided I. Mol. Des. 1990, 4, 381-389.
-
(1991)
Drug. Des. Discovery
, vol.8
, pp. 127-136
-
-
Norinder, U.1
-
40
-
-
0025617054
-
Experimental Design Based 3D QSAR Analysis of Steroid-Protein Interaction: Application to Human CBG Complexes
-
(c) Norinder, U. An Experimental Design Based Quantitative Structure-Activity Relationship Study on β-Adrenergic Blocking Agents Using PLS. Drug. Des. Discovery 1991, 8, 127-136. (d) Norinder, U. Experimental Design Based 3D QSAR Analysis of Steroid-Protein Interaction: Application to Human CBG Complexes. J. Comput.-Aided I. Mol. Des. 1990, 4, 381-389.
-
(1990)
J. Comput.-Aided I. Mol. Des.
, vol.4
, pp. 381-389
-
-
Norinder, U.1
|