-
1
-
-
0028832564
-
Environmental estrogens: Health implications for humans and wildlife
-
Colborn, T. Environmental estrogens: health implications for humans and wildlife. Environ. Health Perspect. 1995. 103(Suppl. 7), 135- 136.
-
(1995)
Environ. Health Perspect.
, vol.103
, Issue.SUPPL. 7
, pp. 135-136
-
-
Colborn, T.1
-
2
-
-
0032052810
-
An updated review of environmental estrogen and androgen mimics and antagonists
-
Sonnenschein, C.; Soto, A. M. An updated review of environmental estrogen and androgen mimics and antagonists. J. Steroid Biochem. Mol. Biol. 1998, 65, 143-150.
-
(1998)
J. Steroid Biochem. Mol. Biol.
, vol.65
, pp. 143-150
-
-
Sonnenschein, C.1
Soto, A.M.2
-
3
-
-
0033012617
-
Importance of oestrogen, xenoestrogen and phytoestrogen metabolism in breast cancer risk
-
Wiseman, H. Importance of oestrogen, xenoestrogen and phytoestrogen metabolism in breast cancer risk. Biochem. Soc. Trans. 1999, 27, 299- 304.
-
(1999)
Biochem. Soc. Trans.
, vol.27
, pp. 299-304
-
-
Wiseman, H.1
-
4
-
-
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.; Jr. 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., Jr.9
-
6
-
-
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
-
7
-
-
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. Toxicol. Chem. 1996, 15, 1945-1954.
-
(1996)
Environ. Toxicol. Chem.
, vol.15
, pp. 1945-1954
-
-
Bradbury, S.P.1
Mekenyan, O.G.2
Ankley, G.T.3
-
8
-
-
0028063420
-
Quantitative structure - Activity relationships/ comparative molecular field analysis (QSAR/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 (QSAR/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
-
9
-
-
0032109698
-
Evaluation of quantitative structure - Activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor
-
Tong, W.; Lowis, D. R.; Perkins, R.; Chen, Yu; Welsh, W. J.; Goddette, D. W.; Heritage, T, W.; Sheehan, D. M. Evaluation of quantitative structure - activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor. J. Chem. Inf. Comput. Sci. 1998, 38, 669-677.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 669-677
-
-
Tong, W.1
Lowis, D.R.2
Perkins, R.3
Chen, Yu.4
Welsh, W.J.5
Goddette, D.W.6
Heritage, T.W.7
Sheehan, D.M.8
-
10
-
-
0032619434
-
Binary quantitative structure - Activity relationship (QSAR) analysis of estrogen receptor ligands
-
Gao, H.; Williams, C.; Labute, P.; Bajorath, J. Binary quantitative structure - activity relationship (QSAR) analysis of estrogen receptor ligands. J. Chem. Inf. Comput. Sci. 1999, 39, 164-168.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 164-168
-
-
Gao, H.1
Williams, C.2
Labute, P.3
Bajorath, J.4
-
11
-
-
0033096995
-
Comparative QSAR analysis of estrogen receptor ligands
-
Gao, H.; Katzenellenbogen, J. A.; Garg, R.; Mansch, C. Comparative QSAR analysis of estrogen receptor ligands. Chem. Rev. 1999, 99, 723-744.
-
(1999)
Chem. Rev.
, vol.99
, pp. 723-744
-
-
Gao, H.1
Katzenellenbogen, J.A.2
Garg, R.3
Mansch, C.4
-
14
-
-
0000353230
-
The characterization of chemical structures using molecular properties. A survey
-
Livingstone, D. J. The characterization of chemical structures using molecular properties. A survey. J. Chem. Inf. Comput. Sci. 2000, 40, 195-209.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 195-209
-
-
Livingstone, D.J.1
-
15
-
-
0003816887
-
-
Research Studies Press: Letchworth, Herts, U.K.
-
Kier, L. B., Hall, L. H. Molecular Connectivity in Structure - Activity Analysis; Research Studies Press: Letchworth, Herts, U.K., 1986.
-
(1986)
Molecular Connectivity in Structure - Activity Analysis
-
-
Kier, L.B.1
Hall, L.H.2
-
16
-
-
0032572819
-
Can we learn to distinguish between "drug-like"and "nondrug-like" molecules?
-
Ajay, W.; Walters, P.; Murcko, M. A. Can we learn to distinguish between "drug-like"and "nondrug-like" molecules? J. Med. Chem. 1998, 41, 3314-3324.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 3314-3324
-
-
Ajay, W.1
Walters, P.2
Murcko, M.A.3
-
17
-
-
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
-
18
-
-
0842341771
-
AM1: A new general purpose quantum mechanical molecular model
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. AM1: A new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 1985, 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
19
-
-
84988122931
-
An algorithm for the location of transition states
-
Baker, J. An algorithm for the location of transition states, J. Comput. Chem. 1986, 7, 385-395.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 385-395
-
-
Baker, J.1
-
21
-
-
0026147366
-
Development of an automatic estimation system for both the partition coefficient and aqueous solubility
-
Suzuki, T. Development of an automatic estimation system for both the partition coefficient and aqueous solubility. J. Comput.-Aid. Mol. Des. 1991, 5, 149-166.
-
(1991)
J. Comput.-Aid. Mol. Des.
, vol.5
, pp. 149-166
-
-
Suzuki, T.1
-
22
-
-
0001047845
-
Melting point and normal boiling point correlations: Applications to rigid aromatic compounds
-
Simamora, P.; Miller, A. H.; Yalkowsky, S. H. Melting point and normal boiling point correlations: applications to rigid aromatic compounds. J. Chem. Inf. Comput. Sci. 1993, 33, 437-440.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 437-440
-
-
Simamora, P.1
Miller, A.H.2
Yalkowsky, S.H.3
-
23
-
-
33751158943
-
Group contribution methods for predicting the melting point and boiling point of aromatic compounds
-
Simamora, P.; Yalkowsky, S. H. Group contribution methods for predicting the melting point and boiling point of aromatic compounds. Ind. Eng. Chem. Res. 1994, 33, 1405-1409.
-
(1994)
Ind. Eng. Chem. Res.
, vol.33
, pp. 1405-1409
-
-
Simamora, P.1
Yalkowsky, S.H.2
-
24
-
-
0029341471
-
Boiling point and melting point prediction for aliphatic, non-hydrogen bonding compounds
-
Krzyzaniak, J. F.; Myrdal, P. B.; Simamora, P.; Yalkowsky, S. H. Boiling point and melting point prediction for aliphatic, non-hydrogen bonding compounds. Ind. Eng. Chem. Res. 1995, 34, 2530-2535.
-
(1995)
Ind. Eng. Chem. Res.
, vol.34
, pp. 2530-2535
-
-
Krzyzaniak, J.F.1
Myrdal, P.B.2
Simamora, P.3
Yalkowsky, S.H.4
-
25
-
-
84972939236
-
Estimation of pure-component properties from group contributions
-
Joback, K. G.; Reid, R. C. Estimation of pure-component properties from group contributions. Chem. Eng. Comm. 1987, 57, 233-243.
-
(1987)
Chem. Eng. Comm.
, vol.57
, pp. 233-243
-
-
Joback, K.G.1
Reid, R.C.2
-
26
-
-
84944178665
-
Hierarchical grouping to optimize an objective function
-
Ward, J. H. Hierarchical grouping to optimize an objective function. J. Am. Statist. Assoc. 1963, 58, 236-244.
-
(1963)
J. Am. Statist. Assoc.
, vol.58
, pp. 236-244
-
-
Ward, J.H.1
-
27
-
-
0000910008
-
Development and application of new steric substituent parameters in drug design
-
Verlopp A.; Hoogenstraaten, W.; Tipker, J. Development and application of new steric substituent parameters in drug design, Drug Design 1976, 7, 165-207.
-
(1976)
Drug Design
, vol.7
, pp. 165-207
-
-
Verlopp, A.1
Hoogenstraaten, W.2
Tipker, J.3
-
28
-
-
0031693546
-
Inhibition of oral bacteria by phenolic compounds. Part 2. Correlations with molecular descriptors
-
Shapiro, S.; Guggenheim, B. Inhibition of oral bacteria by phenolic compounds. Part 2. Correlations with molecular descriptors. Quant. Struct.-Act. Relat. 1998, 17, 338-347.
-
(1998)
Quant. Struct.-Act. Relat.
, vol.17
, pp. 338-347
-
-
Shapiro, S.1
Guggenheim, B.2
-
29
-
-
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 R. III1
Patterson, D.E.2
Bunce, J.D.3
-
30
-
-
44949267284
-
An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
-
Kearsley, S. K.; Smith, G. M. An alternative method for the alignment of molecular structures: maximizing electrostatic and steric overlap. Tetrahedron Comput. Methodol. 1990, 3, 615-633.
-
(1990)
Tetrahedron Comput. Methodol.
, vol.3
, pp. 615-633
-
-
Kearsley, S.K.1
Smith, G.M.2
-
31
-
-
85205603325
-
The WHIM theory: New 3D-molecular descriptors for QSAR in environmental modelling
-
Todeschini, R.; Gramatica, P. The WHIM theory: new 3D-molecular descriptors for QSAR in environmental modelling. SAR QSAR Environ. Res. 1997, 7, 85-115.
-
(1997)
SAR QSAR Environ. Res.
, vol.7
, pp. 85-115
-
-
Todeschini, R.1
Gramatica, P.2
-
32
-
-
0012019079
-
New 3D molecular descriptors; The WHIM theory and QSAR applications
-
Todeschini, R.; Gramatica, P. New 3D molecular descriptors; the WHIM theory and QSAR applications. Perspect. Drug Discov. Des. 1998, 9-11, 355-380.
-
(1998)
Perspect. Drug Discov. Des.
, vol.9-11
, pp. 355-380
-
-
Todeschini, R.1
Gramatica, P.2
-
33
-
-
0000040647
-
Using theoretical descriptors in linear solvation energy relationships
-
Famini, G. R.; Wilson, L. Y. Using theoretical descriptors in linear solvation energy relationships. Theor. Comput. Chem. 1994, 1, 213- 241.
-
(1994)
Theor. Comput. Chem.
, vol.1
, pp. 213-241
-
-
Famini, G.R.1
Wilson, L.Y.2
-
34
-
-
0346328340
-
-
note
-
33
-
-
-
-
35
-
-
18144404059
-
Correlation of boiling points with molecular structure. 1. A training set of 298 diverse organics and a test set of 9 simple inorganics
-
Katrizky, A. R.; Mu, L.; Lobanov, V. S.; Karelson, M. Correlation of boiling points with molecular structure. 1. A training set of 298 diverse organics and a test set of 9 simple inorganics. J. Phys. Chem. 1996, 100, 10400-10407.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 10400-10407
-
-
Katrizky, A.R.1
Mu, L.2
Lobanov, V.S.3
Karelson, M.4
-
37
-
-
0000364859
-
Development of both linear and nonlinear methods to predict the liquid viscosity at 20° C of organic compounds
-
Suzuki, T.; Eben, R.-U.; Schüürmann, G. Development of both linear and nonlinear methods to predict the liquid viscosity at 20° C of organic compounds. J. Chem. Inf. Comput. Sci. 1997, 37, 1122-1128.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1122-1128
-
-
Suzuki, T.1
Eben, R.-U.2
Schüürmann, G.3
-
38
-
-
33847086160
-
BC(DEF) Parameters. 1. The intrinsic dimensionality of intermolecularinteractions in the liquid state
-
Cramer III, R. D. BC(DEF) Parameters. 1. The intrinsic dimensionality of intermolecularinteractions in the liquid state. J. Am. Chem. Soc. 1980, 102, 1837-1849.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 1837-1849
-
-
Cramer R.D. III1
-
39
-
-
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, 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, A.3
-
41
-
-
0005639588
-
De nova design. Ligand construction and prediction of affinity
-
Reyonolds, C. H., Holloway, M. K., Cox, H. K., Eds.; ACS Symposium Series 589; American Chemical Society: Washington, DC
-
Oprea, T. I.; Ho, C. M. W.; Marshall, G. R. De nova design. Ligand construction and prediction of affinity, In Computer-Aided Molecular Design. Applications in Agrochemicals, Materials, and Pharmaceuticals; Reyonolds, C. H., Holloway, M. K., Cox, H. K., Eds.; ACS Symposium Series 589; American Chemical Society: Washington, DC, 1995: pp 64-81.
-
(1995)
Computer-Aided Molecular Design. Applications in Agrochemicals, Materials, and Pharmaceuticals
, pp. 64-81
-
-
Oprea, T.I.1
Ho, C.M.W.2
Marshall, G.R.3
-
42
-
-
0004063197
-
-
Kluwer Academic Publishers: Dordrecht, NL
-
Szejtli, J. Cyclodextrin Technology; Kluwer Academic Publishers: Dordrecht, NL, 1988.
-
(1988)
Cyclodextrin Technology
-
-
Szejtli, J.1
-
43
-
-
0030883825
-
QSAR study of inclusion complexes of heterocyclic compounds with β-cyclodextrin
-
Carpignano, R.; Marzona, M.; Cattaneo, E.; Quaranta, S. QSAR study of inclusion complexes of heterocyclic compounds with β-cyclodextrin. Anal. Chim. Acta 1997, 348, 489-493.
-
(1997)
Anal. Chim. Acta
, vol.348
, pp. 489-493
-
-
Carpignano, R.1
Marzona, M.2
Cattaneo, E.3
Quaranta, S.4
-
44
-
-
0001077295
-
Molecular recognition indicators of modified cyclodextrins using twisted intramolecular charge-transfer fluorescence
-
Hamasaki, K.; Ueno, A.; Toda, F.; Suzuki, I.; Osa, T. Molecular recognition indicators of modified cyclodextrins using twisted intramolecular charge-transfer fluorescence. Bull. Chem. Soc. Jpn. 1994, 67, 516-523.
-
(1994)
Bull. Chem. Soc. Jpn.
, vol.67
, pp. 516-523
-
-
Hamasaki, K.1
Ueno, A.2
Toda, F.3
Suzuki, I.4
Osa, T.5
-
45
-
-
0030576545
-
Formulation and clinical evaluation ofa hydrocortisone solution for the treatment of oral disease
-
Krismundsdóttir, T.; Loftsson, T.; Holbrook, W. P. Formulation and clinical evaluation ofa hydrocortisone solution for the treatment of oral disease. Int. J. Pharm. 1996, 139, 63-68.
-
(1996)
Int. J. Pharm.
, vol.139
, pp. 63-68
-
-
Krismundsdóttir, T.1
Loftsson, T.2
Holbrook, W.P.3
-
46
-
-
0343233751
-
Inclusion complex formation of steroidal drugs withhydroxypropyl-β-cyclodextrin studied by charge-transfer chromatography
-
Cserháti, T.;, Forgács, E. Inclusion complex formation of steroidal drugs withhydroxypropyl-β-cyclodextrin studied by charge-transfer chromatography. J. Pharm. Biomed. Anal. 1998, 18, 179-185.
-
(1998)
J. Pharm. Biomed. Anal.
, vol.18
, pp. 179-185
-
-
Cserháti, T.1
Forgács, E.2
-
47
-
-
34250098723
-
The use of characteristic volumes to measure cavity terms in reversed-phase liquid chromatography
-
Abraham, M. H.; McGowan, J. C. The use of characteristic volumes to measure cavity terms in reversed-phase liquid chromatography. Chromatographia 1987, 23, 243-246.
-
(1987)
Chromatographia
, vol.23
, pp. 243-246
-
-
Abraham, M.H.1
McGowan, J.C.2
-
48
-
-
0001366971
-
Evaluation of synergistic effects of environmental oestrogens
-
Suzuki, T.; Ide, K.; Ishida, M. Evaluation of synergistic effects of environmental oestrogens. J. Pharm. Pharmacol. 1999, 51(Suppl.), 142.
-
(1999)
J. Pharm. Pharmacol.
, vol.51
, Issue.SUPPL.
, pp. 142
-
-
Suzuki, T.1
Ide, K.2
Ishida, M.3
-
49
-
-
0024847290
-
What is synergy?
-
Berenbaum, M. C. What is synergy? Pharmacol. Rev. 1989, 41, 93-141.
-
(1989)
Pharmacol. Rev.
, vol.41
, pp. 93-141
-
-
Berenbaum, M.C.1
|