-
1
-
-
9544252937
-
Research needs for the risk assessment of health and environmental effects of endocrine disrupters: A report of the U.S. EPA-sponsored workshop
-
Kavlock, R. J.; Daston, G. P.; DeRosa, C.; Fenner-Crisp, P.; Gray, L. E.; Kaattari, S.; Lucier, G.; Luster, M.; Mac, M. J.; Maczka, C.; Miller, R.; Moore, J.; Rolland, R.; Scott, G.; Sheehan, D. M.; Sinks, T.; Tilson, H. A. Research needs for the risk assessment of health and environmental effects of endocrine disrupters: A report of the U.S. EPA-sponsored workshop. Environ. Health Perspect. 1996, 104, 715-740.
-
(1996)
Environ. Health Perspect.
, vol.104
, pp. 715-740
-
-
Kavlock, R.J.1
Daston, G.P.2
DeRosa, C.3
Fenner-Crisp, P.4
Gray, L.E.5
Kaattari, S.6
Lucier, G.7
Luster, M.8
Mac, M.J.9
Maczka, C.10
Miller, R.11
Moore, J.12
Rolland, R.13
Scott, G.14
Sheehan, D.M.15
Sinks, T.16
Tilson, H.A.17
-
3
-
-
85034471869
-
-
Safe Drinking Water Act Amendment of 1996, Public Law 104-182, 104th Congress, 1996
-
Safe Drinking Water Act Amendment of 1996, Public Law 104-182, 104th Congress, 1996.
-
-
-
-
4
-
-
0029908493
-
A testing deadline for endocrine disrupters
-
Patlak, M. A testing deadline for endocrine disrupters. Environ. Sci. Technol. 1996, 30, 540A-544A.
-
(1996)
Environ. Sci. Technol.
, vol.30
-
-
Patlak, M.1
-
5
-
-
0001375857
-
Combinatorial chemistry and molecular diversity. An Overview
-
Warr, W. Combinatorial chemistry and molecular diversity. An Overview. J. Chem. Inf. Comput. Sci. 1997, 37, 134-140.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 134-140
-
-
Warr, W.1
-
6
-
-
85084247357
-
High throughput screening for drug discovery
-
Broach, J. R.; Thorner, J. High throughput screening for drug discovery. Nature 1996, 384(Supp), 14-16.
-
(1996)
Nature
, vol.384
, Issue.SUPPL.
, pp. 14-16
-
-
Broach, J.R.1
Thorner, J.2
-
7
-
-
0028809776
-
The structural pervasiveness of estrogenic activity
-
Katzenellenbogen, J. A. The structural pervasiveness of estrogenic activity. Environ. Health Perspect. 1995, 103, 99-101.
-
(1995)
Environ. Health Perspect.
, vol.103
, pp. 99-101
-
-
Katzenellenbogen, J.A.1
-
8
-
-
0031059270
-
The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site
-
Anstead, G. M.; Carlson, K. E.; Katzenellenbogen, J. A. The estradiol pharmacophore: ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site. Steroids 1997, 62, 268-303.
-
(1997)
Steroids
, vol.62
, pp. 268-303
-
-
Anstead, G.M.1
Carlson, K.E.2
Katzenellenbogen, J.A.3
-
9
-
-
0031410762
-
Quantitative structure-activity relationships (QSARs) for estrogen binding to estrogen receptor: Predictions across species
-
Tong, W.; Perkins, R.; Strelitz, R.; Collantes, E. R.; Keenan, S.; Welsh, W. J.; Branham, W. S; Sheehan, D. M. Quantitative structure-activity relationships (QSARs) for estrogen binding to estrogen receptor: Predictions across species. Environ. Health Perspect. 1997, 105(10), 1116-1124.
-
(1997)
Environ. Health Perspect.
, vol.105
, Issue.10
, pp. 1116-1124
-
-
Tong, W.1
Perkins, R.2
Strelitz, R.3
Collantes, E.R.4
Keenan, S.5
Welsh, W.J.6
Branham, W.S.7
Sheehan, D.M.8
-
10
-
-
0030795434
-
QSAR models for binding of estrogenic compounds to estrogen receptor α and β subtypes
-
Tong, W.; Perkins, R.; Xing, L.; Welsh, W. J.; Sheehan, D. M. QSAR models for binding of estrogenic compounds to estrogen receptor α and β subtypes. Endocrinology 1997, 138, 4022-4025.
-
(1997)
Endocrinology
, vol.138
, pp. 4022-4025
-
-
Tong, W.1
Perkins, R.2
Xing, L.3
Welsh, W.J.4
Sheehan, D.M.5
-
11
-
-
0029086592
-
Examination of the estrogen-receptor binding affinities of polychlorinated hydroxybiphenyls using three-dimensional quantitative structure-activity relationships
-
Waller, C. L.; Minor, D. L.; Mckinney, J. D. Examination of the estrogen-receptor binding affinities of polychlorinated hydroxybiphenyls using three-dimensional quantitative structure-activity relationships. Environ. Health Perspect. 1995, 103, 702-707.
-
(1995)
Environ. Health Perspect.
, vol.103
, pp. 702-707
-
-
Waller, C.L.1
Minor, D.L.2
Mckinney, J.D.3
-
12
-
-
0029852782
-
Quantitative structure-activity relationships for polychlorinated hydroxybiphenyl estrogen receptor binding affinity - An assessment of conformer flexibility
-
Bradbury, S. P.; Mekenyan, O. G.; Ankley, G. T. Quantitative structure-activity relationships for polychlorinated hydroxybiphenyl estrogen receptor binding affinity - An assessment of conformer flexibility. Environ. Tox. Chem. 1996, 15, 1945-1954.
-
(1996)
Environ. Tox. Chem.
, vol.15
, pp. 1945-1954
-
-
Bradbury, S.P.1
Mekenyan, O.G.2
Ankley, G.T.3
-
13
-
-
0028063420
-
Quantitative structure-activity relationships/comparative molecular field analysis (QSARs/CoMFA) for receptor-binding properties of halogenated estradiol derivatives
-
Gantchev, T. G.; Ali, H.; van Lier, J. E. Quantitative structure-activity relationships/comparative molecular field analysis (QSARs/CoMFA) for receptor-binding properties of halogenated estradiol derivatives. J. Med. Chem. 1994, 37, 4164-4176.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 4164-4176
-
-
Gantchev, T.G.1
Ali, H.2
Van Lier, J.E.3
-
14
-
-
0029852499
-
Ligand-based identification of environmental estrogens
-
Waller, C. L.; Oprea, T. I.; Chae, K.; Park, H. K.; Korach, K. S.; Laws, S. C.; Wiese, T. E.; Kelce, W. R.; Gray, L. E. Ligand-based identification of environmental estrogens. Chem. Res. Toxicol. 1996, 9, 1240-1248.
-
(1996)
Chem. Res. Toxicol.
, vol.9
, pp. 1240-1248
-
-
Waller, C.L.1
Oprea, T.I.2
Chae, K.3
Park, H.K.4
Korach, K.S.5
Laws, S.C.6
Wiese, T.E.7
Kelce, W.R.8
Gray, L.E.9
-
15
-
-
0023751431
-
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
-
Cramer, R., 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.1
Patterson, D.E.2
Bunce, J.D.3
-
16
-
-
0030176645
-
Use of moment of inertia in comparative molecular field analysis to model chromatographic retention of nonpolar solutes
-
Collantes, E.; Tong, W.; Welsh, W. J. Use of moment of inertia in comparative molecular field analysis to model chromatographic retention of nonpolar solutes. Anal. Chem. 1996, 68, 2038-2043.
-
(1996)
Anal. Chem.
, vol.68
, pp. 2038-2043
-
-
Collantes, E.1
Tong, W.2
Welsh, W.J.3
-
17
-
-
0005660451
-
Derivation of a pharmacophore model for anandamide using constrained conformational searching and comparative molecular field analysis (CoMFA)
-
in press
-
Tong, W.; Collantes, E. R.; Welsh, W. J.; Berglund, B.; Howlett, A. Derivation of a pharmacophore model for anandamide using constrained conformational searching and comparative molecular field analysis (CoMFA). J. Med. Chem., in press.
-
J. Med. Chem.
-
-
Tong, W.1
Collantes, E.R.2
Welsh, W.J.3
Berglund, B.4
Howlett, A.5
-
18
-
-
0002438676
-
Heats of sublimition and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA): Application of moment of inertia for molecular alignment
-
Welsh, W. J.; Tong, W.; Collantes, E. R. Heats of sublimition and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA): Application of moment of inertia for molecular alignment. Thermochim. Acta 1996, 290, 55-64.
-
(1996)
Thermochim. Acta
, vol.290
, pp. 55-64
-
-
Welsh, W.J.1
Tong, W.2
Collantes, E.R.3
-
19
-
-
0030054277
-
A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors
-
Tong, W.; Collantes, E. R.; Chen, Y.; Welsh, W. J. A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors. J. Med. Chem. 1996, 39, 380-387.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 380-387
-
-
Tong, W.1
Collantes, E.R.2
Chen, Y.3
Welsh, W.J.4
-
20
-
-
85034475491
-
-
HQSAR is a product of Tripos, Inc., St. Louis, MO 63144
-
HQSAR is a product of Tripos, Inc., St. Louis, MO 63144.
-
-
-
-
21
-
-
0004117251
-
-
Daylight Chemical Information Systems, Inc.: 27401 Los Altos, Suite #370, Mission Viejo, CA 92691
-
James, C. A.; Weininger, D. Daylight Theory Manual; Daylight Chemical Information Systems, Inc.: 27401 Los Altos, Suite #370, Mission Viejo, CA 92691.
-
Daylight Theory Manual
-
-
James, C.A.1
Weininger, D.2
-
22
-
-
0002647926
-
Rapid quantification of molecular diversity for selective database acquisition
-
Turner, D. B.; Tyrrell, S. M; Willett, P. Rapid quantification of molecular diversity for selective database acquisition. J. Chem. Inf. Comput. Sci. 1997, 37, 18-22.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 18-22
-
-
Turner, D.B.1
Tyrrell, S.M.2
Willett, P.3
-
23
-
-
0030034955
-
Identification of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens and antiestrogens
-
Rosenkranz, H. S.; Cunningham, A.; Klopman, G. Identification of a 2-D geometric descriptor associated with non-genotoxic carcinogens and some estrogens and antiestrogens. Mutagenesis 1996, 11, 95-100.
-
(1996)
Mutagenesis
, vol.11
, pp. 95-100
-
-
Rosenkranz, H.S.1
Cunningham, A.2
Klopman, G.3
-
24
-
-
85034484004
-
-
CODESSA is a product of Semichem, 7128 Summit, Shawnee, KS 66216
-
CODESSA is a product of Semichem, 7128 Summit, Shawnee, KS 66216.
-
-
-
-
25
-
-
0031039888
-
Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors α and β
-
Kuiper, G. G. J. M.; Carlsson, B.; Grandien, K.; Enmark, E.; Haggblad, J.; Nilsson, S.; Gustafsson, J-Å. Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors α and β. Endocrinology 1997, 138, 863-870.
-
(1997)
Endocrinology
, vol.138
, pp. 863-870
-
-
Kuiper, G.G.J.M.1
Carlsson, B.2
Grandien, K.3
Enmark, E.4
Haggblad, J.5
Nilsson, S.6
Gustafsson, J.-Å.7
-
26
-
-
0021738560
-
2-Phenylindoles. Relationship between structure, estrogen receptor affinity, and mammary tumor inhibiting activity in the rat
-
von Angerer, E.; Prekajac, J.; Strohmeier, J. 2-Phenylindoles. Relationship between structure, estrogen receptor affinity, and mammary tumor inhibiting activity in the rat. J. Med. Chem. 1984, 27, 1439-1447.
-
(1984)
J. Med. Chem.
, vol.27
, pp. 1439-1447
-
-
Von Angerer, E.1
Prekajac, J.2
Strohmeier, J.3
-
27
-
-
0026703219
-
6-Alkyl-12-formylindolo[2,1-a]isoquinolines. Synthesis, estrogen receptor binding affinities, and stereospecific cytostatic activity
-
Polossek, T.; Ambros, R.; von Angerer, S.; Brandl, G.; Mannschreck, A.; van Angerer, E. 6-Alkyl-12-formylindolo[2,1-a]isoquinolines. Synthesis, estrogen receptor binding affinities, and stereospecific cytostatic activity. J. Med. Chem. 1992, 35, 3537-3547.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 3537-3547
-
-
Polossek, T.1
Ambros, R.2
Von Angerer, S.3
Brandl, G.4
Mannschreck, A.5
Van Angerer, E.6
-
28
-
-
0028264276
-
1-Carbamoylalkyl-2-phenylindoles: Relationship between side chain structure and estrogen antagonism
-
von Angerer, E.; Biberger, C.; Holler, E.; Koop, R.; Leichtl, S. 1-Carbamoylalkyl-2-phenylindoles: relationship between side chain structure and estrogen antagonism. J. Steroid Biochem. Molec. Biol. 1994, 49, 51-62.
-
(1994)
J. Steroid Biochem. Molec. Biol.
, vol.49
, pp. 51-62
-
-
Von Angerer, E.1
Biberger, C.2
Holler, E.3
Koop, R.4
Leichtl, S.5
-
29
-
-
85034487668
-
-
InfoMetrix, Inc., P. O. Box 1528, Woodinville, Washington 98027
-
InfoMetrix, Inc., P. O. Box 1528, Woodinville, Washington 98027.
-
-
-
-
30
-
-
34250078600
-
Partial least square (PLS): Its strengths and limitations
-
Cramer, R. D., III Partial least square (PLS): Its strengths and limitations. Perspect. Drug Dis. Design 1993, 1, 269-278.
-
(1993)
Perspect. Drug Dis. Design
, vol.1
, pp. 269-278
-
-
Cramer III, R.D.1
-
32
-
-
0343869724
-
SYBYL Line Notation (SLN): A versatile language for chemical structure representation
-
Ash, S.; Cline, M.; Homer, R. 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.2
Homer, R.W.3
Hurst, T.4
Smith, G.B.5
-
34
-
-
84987100711
-
Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies
-
Cramer, R. D., III; Bunce, J. D.; Patterson, D. E. Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies. Quant. Struct.-Act. Relat. 1988, 7, 18-25.
-
(1988)
Quant. Struct.-Act. Relat.
, vol.7
, pp. 18-25
-
-
Cramer III, R.D.1
Bunce, J.D.2
Patterson, D.E.3
-
35
-
-
85031179230
-
-
Biosym/MSI, 9685 Scranton Road, San Diego, CA 92121
-
Apex-3D 95.0 User Guide, Biosym/MSI, 9685 Scranton Road, San Diego, CA 92121.
-
Apex-3D 95.0 User Guide
-
-
-
36
-
-
0031084988
-
GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonists
-
Hasegawa, K.; Miyashita, Y.; Funatsu, K. GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonists. J. Chem. Inf. Comput. Sci. 1997, 37, 306-310.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 306-310
-
-
Hasegawa, K.1
Miyashita, Y.2
Funatsu, K.3
-
37
-
-
0000626789
-
Evolutionary variable selection in regression and PLS analysis
-
Kubinyi, H. Evolutionary variable selection in regression and PLS analysis. J. Chemometr. 1996, 10, 119-133.
-
(1996)
J. Chemometr.
, vol.10
, pp. 119-133
-
-
Kubinyi, H.1
-
38
-
-
0029970338
-
Evolutionary optimization in quantitative structure-activity relationship: An application of genetic neural networks
-
So, S-S; Karplus, M. Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks. J. Med. Chem. 1996, 39, 1521-1530.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 1521-1530
-
-
So, S.-S.1
Karplus, M.2
-
39
-
-
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
|