-
1
-
-
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. M. 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.M.6
-
2
-
-
34249766325
-
Synthetic combinatorial libraries: Views on techniques and their applications
-
Madden, D.; Krchnak, V.; Lebl, M. Synthetic combinatorial libraries: Views on techniques and their applications. Perspect. Drug Discovery Des. 1995, 2, 269-285.
-
(1995)
Perspect. Drug Discovery Des.
, vol.2
, pp. 269-285
-
-
Madden, D.1
Krchnak, V.2
Lebl, M.3
-
6
-
-
77956715838
-
-
Burger, A. Progr. Drug Res./Arzneim.-Forsch. 1991, 37, 287-371. Lipinski, C. A. Annu. Rep. Med. Chem. 1986, 21, 283-291.
-
(1986)
Annu. Rep. Med. Chem.
, vol.21
, pp. 283-291
-
-
Lipinski, C.A.1
-
7
-
-
0016381211
-
Substructural Analysis. A Noveal Approach to the Problem of Drug Design
-
Cramer, R. D.; Redl, G.; Berkoff, C. E. Substructural Analysis. A Noveal Approach to the Problem of Drug Design. J. Med. Chem. 1974, 17, 533.
-
(1974)
J. Med. Chem.
, vol.17
, pp. 533
-
-
Cramer, R.D.1
Redl, G.2
Berkoff, C.E.3
-
8
-
-
0023751431
-
Comparative Molecular Field Analysis (CoMFA). Effect of Shape on Binding of Steroids to Carrier Proteins
-
Cramer, R. D.; Patterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). 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.D.3
-
9
-
-
0003476917
-
-
ESCOM: Leiden, Holland
-
Kubinyi, H., Ed. 3D QSAR in Drug Design. Theory, Methods, and Applications; ESCOM: Leiden, Holland, 1993.
-
(1993)
3D QSAR in Drug Design. Theory, Methods, and Applications
-
-
Kubinyi, H.1
-
10
-
-
0001319771
-
Comparative molecular field analysis (CoMFA)
-
Dean, P. M., Ed.; Chapman & Hall: London
-
Kim, K. H. Comparative molecular field analysis (CoMFA). In Molecular Similarity in Drug Design; Dean, P. M., Ed.; Chapman & Hall: London, 1995; pp 291-331.
-
(1995)
Molecular Similarity in Drug Design
, pp. 291-331
-
-
Kim, K.H.1
-
11
-
-
84987067987
-
An electron density measure of the similarity between two compounds
-
Carbo, R.; Leyda, L.; Arnau, M. An electron density measure of the similarity between two compounds. Int. J. Quant. Chem. 1980, 17, 1185-1189.
-
(1980)
Int. J. Quant. Chem.
, vol.17
, pp. 1185-1189
-
-
Carbo, R.1
Leyda, L.2
Arnau, M.3
-
12
-
-
33847086085
-
A QSAR investigation of DHFR inhibition by Baker triazines based upon molecular shape analysis
-
Hopfinger, A. J. A QSAR investigation of DHFR inhibition by Baker triazines based upon molecular shape analysis. J. Am. Chem. Soc. 1980, 102, 7196-7206.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 7196-7206
-
-
Hopfinger, A.J.1
-
13
-
-
0002564468
-
3D molecular similarity indices and their application in QSAR studies
-
Dean, P. M., Ed.; Chapman & Hall: London
-
Reviewed by Good, A. C. 3D molecular similarity indices and their application in QSAR studies. In Molecular Similarity in Drug Design; Dean, P. M., Ed.; Chapman & Hall: London, 1995; pp 24-56.
-
(1995)
Molecular Similarity in Drug Design
, pp. 24-56
-
-
Good, A.C.1
-
15
-
-
0003476917
-
-
Kubinyi, H., Ed.; ESCOM: Leiden, Holland
-
Van Waterbeemd, H. In 3D QSAR in Drug Design. Theory, Methods, and Application; Kubinyi, H., Ed.; ESCOM: Leiden, Holland, 1993.
-
(1993)
3D QSAR in Drug Design. Theory, Methods, and Application
-
-
Van Waterbeemd, H.1
-
16
-
-
0028953765
-
Measuring diversity: Experimental design of combinatorial libraries for drug discovery
-
Anaheim, CA, COMP 32
-
Martin, E. J.; Blaney, J.; Siani, M.; Spellmeyer, D. Measuring diversity: Experimental design of combinatorial libraries for drug discovery. American Chemical Society Meeting, Anaheim, CA, 1995; COMP 32.
-
(1995)
American Chemical Society Meeting
-
-
Martin, E.J.1
Blaney, J.2
Siani, M.3
Spellmeyer, D.4
-
17
-
-
9344234144
-
-
San Diego, CA, Dec. 14-16
-
Chapman, D.; Ross, M. J. Poster at the symposium Chemical and Biomolecular Diversity, San Diego, CA, Dec. 14-16, 1994; lecture at the symposium Exploiting Molecular Diversity: Small Molecule Libraries for Drug Discovery, La Jolla, CA, Jan. 23-25, 1995; conference summary available from Wendy Warr & Assoc., 6 Berwick Ct, Cheshire, U.K. CW4 7HZ.
-
(1994)
Symposium Chemical and Biomolecular Diversity
-
-
Chapman, D.1
Ross, M.J.2
-
18
-
-
9344230613
-
-
La Jolla, CA, Jan. 23-25, conference summary available from Wendy Warr & Assoc., 6 Berwick Ct, Cheshire, U.K. CW4 7HZ
-
Chapman, D.; Ross, M. J. Poster at the symposium Chemical and Biomolecular Diversity, San Diego, CA, Dec. 14-16, 1994; lecture at the symposium Exploiting Molecular Diversity: Small Molecule Libraries for Drug Discovery, La Jolla, CA, Jan. 23-25, 1995; conference summary available from Wendy Warr & Assoc., 6 Berwick Ct, Cheshire, U.K. CW4 7HZ.
-
(1995)
Exploiting Molecular Diversity: Small Molecule Libraries for Drug Discovery
-
-
-
19
-
-
0027930292
-
Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark
-
Jain, A. J.; Koile, K.; Chapman, D. Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark. J. Med. Chem. 1994, 37, 2315-2327 . Jain, A.; et al. J. Comput.-Aided Mol. Des. 1994, 8. Jain, A. N.; Harris, N. L.; Park, J. Y. J. Med. Chem. 1995.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2315-2327
-
-
Jain, A.J.1
Koile, K.2
Chapman, D.3
-
20
-
-
0027930292
-
-
Jain, A. J.; Koile, K.; Chapman, D. Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark. J. Med. Chem. 1994, 37, 2315-2327 . Jain, A.; et al. J. Comput.-Aided Mol. Des. 1994, 8. Jain, A. N.; Harris, N. L.; Park, J. Y. J. Med. Chem. 1995.
-
(1994)
J. Comput.-Aided Mol. Des.
, pp. 8
-
-
Jain, A.1
-
21
-
-
0027930292
-
-
Jain, A. J.; Koile, K.; Chapman, D. Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark. J. Med. Chem. 1994, 37, 2315-2327 . Jain, A.; et al. J. Comput.-Aided Mol. Des. 1994, 8. Jain, A. N.; Harris, N. L.; Park, J. Y. J. Med. Chem. 1995.
-
(1995)
J. Med. Chem.
-
-
Jain, A.N.1
Harris, N.L.2
Park, J.Y.3
-
22
-
-
0000460468
-
-
Marshall, G. R.; Barry, C. D.; Bosshard, H. E.; Dammkoehler, R. A.; Dunn, D. A. ACS Symp. Ser. 1979, 112, 205-226.
-
(1979)
ACS Symp. Ser.
, vol.112
, pp. 205-226
-
-
Marshall, G.R.1
Barry, C.D.2
Bosshard, H.E.3
Dammkoehler, R.A.4
Dunn, D.A.5
-
23
-
-
9344251939
-
Combinatorial Chemistry Library Design using Pharmacophoric Diversity
-
Leeds, U.K., April
-
Davies, K.; Briant, C. Combinatorial Chemistry Library Design using Pharmacophoric Diversity. Molecular Graphics Society Meeting, Leeds, U.K., April 1995.
-
(1995)
Molecular Graphics Society Meeting
-
-
Davies, K.1
Briant, C.2
-
24
-
-
9344256323
-
Diversity, Shmiversity: Is Your Library Any Good?
-
San Diego, CA, Jan. 29
-
Teig, S. L. Diversity, Shmiversity: Is Your Library Any Good? CHI Meeting on Exploiting Molecular Diversity, San Diego, CA, Jan. 29, 1996.
-
(1996)
CHI Meeting on Exploiting Molecular Diversity
-
-
Teig, S.L.1
-
25
-
-
0042048782
-
Similarity and cluster analysis applied to molecular diversity
-
Anaheim, CA, COMP 3
-
Brown, R. D.; Bures, M. G.; Martin, Y. C. Similarity and cluster analysis applied to molecular diversity. American Chemical Society Meeting, Anaheim, CA, 1995; COMP 3.
-
(1995)
American Chemical Society Meeting
-
-
Brown, R.D.1
Bures, M.G.2
Martin, Y.C.3
-
26
-
-
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
-
27
-
-
9344269112
-
-
note
-
A very recent extension of the topomeric alignment methodology currently allows reliable superposition of prochiral centers as well.
-
-
-
-
28
-
-
0002379892
-
3D molecular structures: Generation and use in 3D searching
-
Kubinyi, H., Ed.; ESCOM: Leiden, Holland, Program available from Tripos, Inc., St. Louis, MO
-
Pearlman, R. S. 3D molecular structures: generation and use in 3D searching. In 3D QSAR in Drug Design. Theory, Methods, and Applications; Kubinyi, H., Ed.; ESCOM: Leiden, Holland, 1993; pp 41-70. Program available from Tripos, Inc., St. Louis, MO.
-
(1993)
3D QSAR in Drug Design. Theory, Methods, and Applications
, pp. 41-70
-
-
Pearlman, R.S.1
-
30
-
-
0015680655
-
Clustering using a similarity measure based on shared nearest neighbors
-
Jarvis, R. A.; Patrick, E. A. Clustering using a similarity measure based on shared nearest neighbors. IEEE Trans. Computers 1973, C-22 (11), 1025-1034.
-
(1973)
IEEE Trans. Computers
, vol.C-22
, Issue.11
, pp. 1025-1034
-
-
Jarvis, R.A.1
Patrick, E.A.2
-
31
-
-
33751385180
-
Rapid evaluatin of shape similarity using Gaussian functions
-
Good, A. C.; Richards, W. G. Rapid evaluatin of shape similarity using Gaussian functions. J. Chem. Inf. Comput. Sci. 1993, 33, 112-116.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 112-116
-
-
Good, A.C.1
Richards, W.G.2
-
32
-
-
0002656809
-
Designing Chemical Libraries for Lead Discovery
-
accepted for publication
-
Library of 100 000 compounds, currently being synthesized by PanLabs, Bothell, WA, and available from Tripos, Inc., St. Louis, MO. For more detail of the library design procedures themselves, see: Ferguson, A. M.; Patterson, D. E.; Garr, C. D.; Undereiner, T. L. Designing Chemical Libraries for Lead Discovery. J. Biomol. Screen. 1996, accepted for publication.
-
(1996)
J. Biomol. Screen.
-
-
Ferguson, A.M.1
Patterson, D.E.2
Garr, C.D.3
Undereiner, T.L.4
-
33
-
-
9344241731
-
-
Patents pending
-
Patents pending.
-
-
-
|