-
1
-
-
0028243847
-
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
-
Gallop, M. A.; Barret, 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
Barret, R.W.2
Dower, W.J.3
Fodor, S.P.A.4
Gordon, E.M.5
-
2
-
-
0028318863
-
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
-
Gordon, E. M.; Barret, 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, 1385-1401.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1385-1401
-
-
Gordon, E.M.1
Barret, R.W.2
Dower, W.J.3
Fodor, S.P.A.4
Gallop, M.A.5
-
4
-
-
0029271228
-
Using a Genetic Algorithm to Suggest Combinatorial Libraries
-
Sheridan, R. P.; Kearsley, S. K. Using a Genetic Algorithm To Suggest Combinatorial Libraries. J. Chem. Inf. Comput. Sci. 1995, 35, 310-320.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 310-320
-
-
Sheridan, R.P.1
Kearsley, S.K.2
-
5
-
-
0032011973
-
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
-
Zheng, W.; Cho, S. J.; Tropsha, A. Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries. J. Chem. Inf. Comput. Sci. 1998, 38, 251-258.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 251-258
-
-
Zheng, W.1
Cho, S.J.2
Tropsha, A.3
-
6
-
-
0009009790
-
-
Hall Associates Consulting; Quincy, MA
-
MOLCONN-X version 2.0, Hall Associates Consulting; Quincy, MA.
-
MOLCONN-X Version 2.0
-
-
-
7
-
-
85034298354
-
Application of Topological Indices in Rational Design of Combinatorial Chemical Libraries
-
American Chemical Society: Washington, D.C., CINF-068
-
Tropsha, A.; Zheng, W.; Cho, S. J. Application of Topological Indices in Rational Design of Combinatorial Chemical Libraries. Book of Abstracts, 211 th ACS National Meeting, New Orleans, LA, March 22-28. American Chemical Society: Washington, D.C., 1996; CINF-068.
-
(1996)
Book of Abstracts, 211 Th ACS National Meeting, New Orleans, LA, March 22-28
-
-
Tropsha, A.1
Zheng, W.2
Cho, S.J.3
-
8
-
-
0023192524
-
Peptide Quantitative Structure-Activity Relationships, a Multivariate Approach
-
Hellberg, S.; Sjöström, M.; Skagerberg, B.; Wold, S. Peptide Quantitative Structure-Activity Relationships, a Multivariate Approach. J. Med. Chem. 1987, 30, 1126-1135.
-
(1987)
J. Med. Chem.
, vol.30
, pp. 1126-1135
-
-
Hellberg, S.1
Sjöström, M.2
Skagerberg, B.3
Wold, S.4
-
9
-
-
0018240719
-
Structure-Activity Relationships of Bradykinin Potentiating Peptides
-
Ufkes, J. G. R.; Visser, B. J.; Heuver, G.; Van Der Meer, C. Structure-Activity Relationships of Bradykinin Potentiating Peptides. Eur. J. Pharm. 1978, 50, 119-122.
-
(1978)
Eur. J. Pharm.
, vol.50
, pp. 119-122
-
-
Ufkes, J.G.R.1
Visser, B.J.2
Heuver, G.3
Van Der Meer, C.4
-
10
-
-
0000805679
-
-
Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: Deerfield Beach, FL
-
Hall, L. H.; Kier, L. B. In Reviews in Computational Chemistry II; Lipkowitz, K. B.; Boyd, D. B., Eds.; VCH: Deerfield Beach, FL, 1991; pp 367-422.
-
(1991)
Reviews in Computational Chemistry II
, pp. 367-422
-
-
Hall, L.H.1
Kier, L.B.2
-
11
-
-
0007159747
-
An Alternative to 3D QSAR: Application of Genetic Algorithms and Partial Least Squares to Variable Selection of Topological Indices
-
Cho, S. J.; Cummins. D.; Bentley, J.; Andrews, C. W.; Tropsha, A. An Alternative to 3D QSAR: Application of Genetic Algorithms and Partial Least Squares to Variable Selection of Topological Indices, submitted for publication in J. Comp. Aided Mol. Design.
-
J. Comp. Aided Mol. Design.
-
-
Cho, S.J.1
Cummins, D.2
Bentley, J.3
Andrews, C.W.4
Tropsha, A.5
-
12
-
-
0021733924
-
Multivariate Structure-Activity Relationships between Data from a Battery of Biological Tests and an Ensemble of Structure Descriptors: The PLS Method
-
Dunn, W. J., III; Wold, S.; Edlund, U.; Hellberg, S.; Gasteiger, J. Multivariate Structure-Activity Relationships Between Data from a Battery of Biological Tests and an Ensemble of Structure Descriptors: the PLS Method. Quant. Struct.-Act. Relat. 1984, 3, 131-137.
-
(1984)
Quant. Struct.-Act. Relat.
, vol.3
, pp. 131-137
-
-
Dunn III, W.J.1
Wold, S.2
Edlund, U.3
Hellberg, S.4
Gasteiger, J.5
-
13
-
-
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. D. 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.D.3
-
14
-
-
0029031962
-
Amino Acid Side Chain Descriptors for Quantitative Structure-Activity Relationship Studies of Peptide Analogues
-
Collantes, E. R.; Dunn, W. J., III Amino Acid Side Chain Descriptors for Quantitative Structure-Activity Relationship Studies of Peptide Analogues. J. Med. Chem. 1995, 38, 2705-2713.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 2705-2713
-
-
Collantes, E.R.1
Dunn III, W.J.2
-
15
-
-
0027513960
-
Application of Neural Networks in Structure-Activity Relationships of a Small Number of Molecules
-
Tetko, I. V.; Luik, A. I.; Poda, G. I. Application of Neural Networks in Structure-Activity Relationships of a Small Number of Molecules. J. Med. Chem. 1993, 36, 811-814.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 811-814
-
-
Tetko, I.V.1
Luik, A.I.2
Poda, G.I.3
-
16
-
-
0027145573
-
Unified Framework for Using Neural Networks to Build QSARs
-
Ajay, A Unified Framework for Using Neural Networks To Build QSARs. J. Med. Chem. 1993, 36, 3565-3571.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 3565-3571
-
-
Ajay, A.1
-
17
-
-
0026738394
-
Application of Neural Networks: Quantitative Structure-Activity Relationships of the Derivatives of 2,4-Diamino-5-(substituted-benzyl)pyrimidines as DHFR Inhibitors
-
So, S. S.; Richards, W. G. Application of Neural Networks: Quantitative Structure-Activity Relationships of the Derivatives of 2,4-Diamino-5-(substituted-benzyl)pyrimidines as DHFR Inhibitors. J. Med. Chem. 1992, 35, 3201-3207.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 3201-3207
-
-
So, S.S.1
Richards, W.G.2
-
18
-
-
0022758683
-
Generalized Simulated Annealing for Function Optimization
-
Bohachevsky, I. O.; Johnson, M. E.; Stein, M. L. Generalized Simulated Annealing for Function Optimization. Technometrics 1986, 28, 209-217.
-
(1986)
Technometrics
, vol.28
, pp. 209-217
-
-
Bohachevsky, I.O.1
Johnson, M.E.2
Stein, M.L.3
-
19
-
-
0024738079
-
Global Optimization by Simulated Annealing with Wavelength Selection for Ultraviolet-Visible Spectrophotometry
-
Kalivas, J. H.; Sutter, J. M.; Roberts, N. Global Optimization by Simulated Annealing with Wavelength Selection for Ultraviolet-Visible Spectrophotometry. Anal. Chem. 1989, 61, 2024-2030.
-
(1989)
Anal. Chem.
, vol.61
, pp. 2024-2030
-
-
Kalivas, J.H.1
Sutter, J.M.2
Roberts, N.3
-
21
-
-
0026988817
-
Genetic Algorithms
-
Holland, J. H. Genetic Algorithms. Sci. Am. 1992, 267, 66-72.
-
(1992)
Sci. Am.
, vol.267
, pp. 66-72
-
-
Holland, J.H.1
-
22
-
-
0027640931
-
Genetic Algorithms: Principles of Natural Selection Applied to Computation
-
Forrest, S. Genetic Algorithms: Principles of Natural Selection Applied to Computation. Science 1993, 261, 872-878.
-
(1993)
Science
, vol.261
, pp. 872-878
-
-
Forrest, S.1
-
23
-
-
0042292781
-
Partial Least-Squares Method for Spectrofluorimetric Analysis of Mixtures of Humic Acid and Ligninsulfonate
-
Lindberg, W.; Persson, J.-A.; Wold, S. Partial Least-Squares Method for Spectrofluorimetric Analysis of Mixtures of Humic Acid and Ligninsulfonate. Anal. Chem. 1983, 55, 643-648.
-
(1983)
Anal. Chem.
, vol.55
, pp. 643-648
-
-
Lindberg, W.1
Persson, J.-A.2
Wold, S.3
-
24
-
-
0027934780
-
Discovery of Nanomolar Ligands for 7-Transmembrane G-Protem-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library
-
Zuckermann, R. N.; Martin, E. J.; Spellmeyer, D. C.; Stauber, G. B.; Shoemaker, K. R.; Kerr, J. M.; Figliozzi, G. M.; Goff, D. A.; Siani, M. A.; Simon, R. J.; Banville, S. C.; Brown, E. G.; Wang, L.; Richter, L. S.; Moos, W. H. Discovery of Nanomolar Ligands for 7-Transmembrane G-Protem-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library. J. Med. Chem. 1994, 37, 2678-2685.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2678-2685
-
-
Zuckermann, R.N.1
Martin, E.J.2
Spellmeyer, D.C.3
Stauber, G.B.4
Shoemaker, K.R.5
Kerr, J.M.6
Figliozzi, G.M.7
Goff, D.A.8
Siani, M.A.9
Simon, R.J.10
Banville, S.C.11
Brown, E.G.12
Wang, L.13
Richter, L.S.14
Moos, W.H.15
|