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1
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0012906771
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Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints
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Jaworska, J.S., Comber, M., Auer, C. and van Leeuwen, C.J. (2003) "Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints", Environ. Health Perspect. 111, 1358-1360.
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(2003)
Environ. Health Perspect.
, vol.111
, pp. 1358-1360
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Jaworska, J.S.1
Comber, M.2
Auer, C.3
Van Leeuwen, C.J.4
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2
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0012959393
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Use of QSARs in international decision-making frameworks to predict ecological effects and environmental fate of chemical substances
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Cronin, M.T.D., Jaworska, J.S., Walker, J.D., Comber, M., Watts, C.D. and Worth, A.P. (2003) "Use of QSARs in international decision-making frameworks to predict ecological effects and environmental fate of chemical substances", Environ. Health Perspect. 111, 1376-1390.
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(2003)
Environ. Health Perspect.
, vol.111
, pp. 1376-1390
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Cronin, M.T.D.1
Jaworska, J.S.2
Walker, J.D.3
Comber, M.4
Watts, C.D.5
Worth, A.P.6
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3
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0037585744
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An overview in the use of QSAR for screening and prioritizing large chemical inventories
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Russom, C.R., Breton, R., Walker, J.D. and Bradbury, S. (2003) "An overview in the use of QSAR for screening and prioritizing large chemical inventories", Environ. Toxicol. Chem. 22, 1789-1798.
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(2003)
Environ. Toxicol. Chem.
, vol.22
, pp. 1789-1798
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Russom, C.R.1
Breton, R.2
Walker, J.D.3
Bradbury, S.4
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4
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0036780044
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Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals
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Walker, J.D., Carlsen, L., Hulzebos, E. and Simon-Hettich, B. (2002) "Global government applications of analogues, SARs and QSARs to predict aquatic toxicity, chemical or physical properties, environmental fate parameters and health effects of organic chemicals", SAR QSAR Environ. Res. 13, 607-619.
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(2002)
SAR QSAR Environ. Res.
, vol.13
, pp. 607-619
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Walker, J.D.1
Carlsen, L.2
Hulzebos, E.3
Simon-Hettich, B.4
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5
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0037838701
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Improving opportunities for regulatory acceptance of QSARs: The importance of model domain, uncertainty, validity, and predictability
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Walker, J.D., Carlsen, L. and Jaworska, J.S. (2003) "Improving opportunities for regulatory acceptance of QSARs: the importance of model domain, uncertainty, validity, and predictability", QSAR Comb. Sci. 22, 346-350.
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(2003)
QSAR Comb. Sci.
, vol.22
, pp. 346-350
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Walker, J.D.1
Carlsen, L.2
Jaworska, J.S.3
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6
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0036490186
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Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms
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MacDonald, D., Breton, R., Sutcliffe, R. and Walker, J.D. (2002) "Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms", SAR QSAR Environ. Res. 13, 43-55.
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(2002)
SAR QSAR Environ. Res.
, vol.13
, pp. 43-55
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MacDonald, D.1
Breton, R.2
Sutcliffe, R.3
Walker, J.D.4
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7
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0036019066
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Dynamic QSAR techniques: Applications in drug design and toxicology
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Mekenyan, O. (2002) "Dynamic QSAR techniques: Applications in drug design and toxicology", Curr. Pharm. Des. 8(17), 1605-1624.
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(2002)
Curr. Pharm. Des.
, vol.8
, Issue.17
, pp. 1605-1624
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Mekenyan, O.1
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8
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0036993511
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Problems for risk assessment of endocrine-active estrogenic compounds
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Safe, S.H., Pallaroni, L., Yoon, K., Gaido, K., Ross, S. and McDonnell, D. (2002) "Problems for risk assessment of endocrine-active estrogenic compounds", Environ. Health Perspect. 110, 925-929.
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(2002)
Environ. Health Perspect.
, vol.110
, pp. 925-929
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Safe, S.H.1
Pallaroni, L.2
Yoon, K.3
Gaido, K.4
Ross, S.5
McDonnell, D.6
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9
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0036490150
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Probabilistic assessment of biodegradability based on metabolic pathways: CATABOL system
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Jaworska, J., Dimitrov, S., Nikolova, N. and Mekenyan, O.G. (2002) "Probabilistic assessment of biodegradability based on metabolic pathways: CATABOL system", SAR QSAR Environ. Res. 13, 307-323.
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(2002)
SAR QSAR Environ. Res.
, vol.13
, pp. 307-323
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Jaworska, J.1
Dimitrov, S.2
Nikolova, N.3
Mekenyan, O.G.4
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10
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85195053709
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TIssue MEtabolism Simulator (TIMES). I. Predicting metabolic transformation of chemical from their structure
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Submitted
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Mekenyan, O.G., Dimitrov, S.D., Pavlov, T. and Veith, G.D. (2003) "TIssue MEtabolism Simulator (TIMES). I. Predicting metabolic transformation of chemical from their structure", Curr. Pharm. Des., (Submitted).
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(2003)
Curr. Pharm. Des.
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Mekenyan, O.G.1
Dimitrov, S.D.2
Pavlov, T.3
Veith, G.D.4
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11
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0000539466
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Conformational coverage by a genetic algorithm
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Mekenyan, O.G., Dimitrov, D., Nikolova, N. and Karabunarliev, S. (1999) "Conformational coverage by a genetic algorithm", Chem. Inf. Comput. Sci. 39, 997-1016.
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(1999)
Chem. Inf. Comput. Sci.
, vol.39
, pp. 997-1016
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Mekenyan, O.G.1
Dimitrov, D.2
Nikolova, N.3
Karabunarliev, S.4
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12
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0028322347
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Molecular modeling of steroidal estrogens: Novel conformations and their role in biological activity
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Wiese, T.E. and Brooks, S.C. (1994) "Molecular modeling of steroidal estrogens: novel conformations and their role in biological activity", J. Steroid Biochem. Mol. Biol. 50, 61-73.
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(1994)
J. Steroid Biochem. Mol. Biol.
, vol.50
, pp. 61-73
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Wiese, T.E.1
Brooks, S.C.2
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13
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0344941707
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Submitted
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Mekenyan, O.G., Dimitrov, S.D., Serafimova, R., Thompson, E., Kotov, S., Dimitrova, N. and Walker, J.D. (2003) Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals I. TA100 Model (Submitted).
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(2003)
Identification of the Structural Requirements for Mutagencitiy, by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals I. TA100 Model
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Mekenyan, O.G.1
Dimitrov, S.D.2
Serafimova, R.3
Thompson, E.4
Kotov, S.5
Dimitrova, N.6
Walker, J.D.7
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14
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0034525472
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A computationally-based identification algorithm for estrogen receptor ligands. Part I. Predicting hER″ binding affinity
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Bradbury, S., Kamenska, V., Schmieder, P., Ankley, G. and Mekenyan, O. (2000) "A computationally-based identification algorithm for estrogen receptor ligands. Part I. Predicting hER″ binding affinity", Toxicol. Sci. 58, 253-269.
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(2000)
Toxicol. Sci.
, vol.58
, pp. 253-269
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-
Bradbury, S.1
Kamenska, V.2
Schmieder, P.3
Ankley, G.4
Mekenyan, O.5
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15
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0034525806
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A computationally-based identification algorithm for estrogen receptor ligands. Part II. Evaluation of a hER″ binding affinity model
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Mekenyan, O., Kamenska, V., Schmieder, P., Ankley, G. and Bradbury, S. (2000) "A computationally-based identification algorithm for estrogen receptor ligands. Part II. Evaluation of a hER″ binding affinity model", Toxicol. Sci. 58, 270-281.
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(2000)
Toxicol. Sci.
, vol.58
, pp. 270-281
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-
Mekenyan, O.1
Kamenska, V.2
Schmieder, P.3
Ankley, G.4
Bradbury, S.5
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16
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0037424616
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Rule interpreter: A chemicals language that implements decision rules based on molecular structure
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Karabunarliev, S., Nikolova, N., Nikolov, N. and Mekenyan, O.G. (2003) "Rule interpreter: a chemicals language that implements decision rules based on molecular structure", J. Mol. Struct. (THEOCHEM) 622, 53-62.
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(2003)
J. Mol. Struct. (THEOCHEM)
, vol.622
, pp. 53-62
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-
Karabunarliev, S.1
Nikolova, N.2
Nikolov, N.3
Mekenyan, O.G.4
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17
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0036783199
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Development and validation of an average mammalian estrogen receptor-based QSAR model
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Mekenyan, O.G., Kamenska, V., Serafimova, R., Poellinger, L., Brower, A. and Walker, J. (2002) "Development and validation of an average mammalian estrogen receptor-based QSAR model", SAR QSAR Environ. Res. 13, 579-595.
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(2002)
SAR QSAR Environ. Res.
, vol.13
, pp. 579-595
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-
Mekenyan, O.G.1
Kamenska, V.2
Serafimova, R.3
Poellinger, L.4
Brower, A.5
Walker, J.6
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18
-
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0036816654
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Predicting bioconcentration factors of highly hydrophobic chemicals: Effects of molecular size
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Dimitrov, S.D., Dimitrova, N.C., Walker, J.D., Veith, G.D. and Mekenyan, O.G. (2002) "Predicting bioconcentration factors of highly hydrophobic chemicals: effects of molecular size", J. Mol. Struct. (TEOCHEM) 10, 1823-1830.
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(2002)
J. Mol. Struct. (TEOCHEM)
, vol.10
, pp. 1823-1830
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Dimitrov, S.D.1
Dimitrova, N.C.2
Walker, J.D.3
Veith, G.D.4
Mekenyan, O.G.5
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19
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0036579820
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Quantitative prediction of biodegradability, metabolite distribution and toxicity of stable metabolites
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Dimitrov, S., Breton, R., Mackdonald, D., Walker, J. and Mekenyan, O.G. (2002) "Quantitative prediction of biodegradability, metabolite distribution and toxicity of stable metabolites", SAR QSAR Environ. Res. 13, 445-455.
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(2002)
SAR QSAR Environ. Res.
, vol.13
, pp. 445-455
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Dimitrov, S.1
Breton, R.2
Mackdonald, D.3
Walker, J.4
Mekenyan, O.G.5
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20
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0037424619
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Global modeling of narcotic chemicals: Ciliate and fish toxicity
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Dimitrov, S.D., Mekenyan, O.G., Sinks, G.D. and Schultz, T.W. (2003) "Global modeling of narcotic chemicals: ciliate and fish toxicity", J. Mol. Struct. (THEOCHEM) 622, 63-70.
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(2003)
J. Mol. Struct. (THEOCHEM)
, vol.622
, pp. 63-70
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Dimitrov, S.D.1
Mekenyan, O.G.2
Sinks, G.D.3
Schultz, T.W.4
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21
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0037903204
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Modeling mode of action of industrial chemicals: Application using chemicals on Canada's domestic substances list (DSL)
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Dimitrov, S., Koleva, Y., Lewis, M., Breton, R., Veith, G. and Mekenyan, O.G. (2003) "Modeling mode of action of industrial chemicals: application using chemicals on Canada's domestic substances list (DSL)", QSAR Comb. Sci. 22, 5-17.
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(2003)
QSAR Comb. Sci.
, vol.22
, pp. 5-17
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Dimitrov, S.1
Koleva, Y.2
Lewis, M.3
Breton, R.4
Veith, G.5
Mekenyan, O.G.6
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22
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0031458685
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A computationally-based hazard identification algorithm that incorporates ligand flexibility
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Mekenyan, O.G., Ivanov, J., Karabunarliev, S., Bradbury, S., Ankley, G. and Karcher, W. (1997) "A computationally-based hazard identification algorithm that incorporates ligand flexibility", Environ. Sci. Technol. 31, 3702-3711.
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(1997)
Environ. Sci. Technol.
, vol.31
, pp. 3702-3711
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Mekenyan, O.G.1
Ivanov, J.2
Karabunarliev, S.3
Bradbury, S.4
Ankley, G.5
Karcher, W.6
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23
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0033020746
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New developments in a hazard identification algorithm for hormone receptor ligands
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Mekenyan, O.G., Nikolova, N., Karabunarliev, S., Bradbury, S., Ankley, G. and Hansen, B. (1999) "New developments in a hazard identification algorithm for hormone receptor ligands", Quant. Struct.-Act. Relat. 18, 139-153.
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(1999)
Quant. Struct.-Act. Relat.
, vol.18
, pp. 139-153
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Mekenyan, O.G.1
Nikolova, N.2
Karabunarliev, S.3
Bradbury, S.4
Ankley, G.5
Hansen, B.6
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24
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0037424596
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Dynamic 3D QSAR techniques: Application in toxicology
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Mekenyan, O.G., Nikolova, N. and Schmieder, P. (2003) "Dynamic 3D QSAR techniques: application in toxicology", J. Mol. Struct. (THEOCHEM) 622, 147-165.
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(2003)
J. Mol. Struct. (THEOCHEM)
, vol.622
, pp. 147-165
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Mekenyan, O.G.1
Nikolova, N.2
Schmieder, P.3
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25
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0029852499
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Ligand-based identification of environmental estrogens
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Waller, C.L., Oprea, T.I., Chae, K., Park, H.-K., Korach, K.S., Laws, S.C., Wiese, T.E., Kelce, W.R. and Gray, L.E., Jr. (1996) "Ligand-based identification of environmental estrogens", Chem. Res. Toxicol. 9, 1240-1248.
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Chem. Res. Toxicol.
, vol.9
, pp. 1240-1248
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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 Jr., L.E.9
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26
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3042756315
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COREPA-M: A multi-dimensional formulation of COREPA
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Submitted
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Mekenyan, O.G., Nikolova, N.G., Schmieder, P.K. and Veith, G.D. (2003) "COREPA-M: a multi-dimensional formulation of COREPA", QSAR Comb. Sci. (Submitted).
-
(2003)
QSAR Comb. Sci.
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Mekenyan, O.G.1
Nikolova, N.G.2
Schmieder, P.K.3
Veith, G.D.4
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27
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0347134671
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Prioritization of large chemical inventories for endocrine disruptor testing using a new 3D QSAR approach
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In press
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Schmieder, P.K., Mekenyan, O.G., Bradbury, S.P. and Veith, G.D. (2003) "Prioritization of large chemical inventories for endocrine disruptor testing using a new 3D QSAR approach", Pure Appl. Chem. (In press).
-
(2003)
Pure Appl. Chem.
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-
Schmieder, P.K.1
Mekenyan, O.G.2
Bradbury, S.P.3
Veith, G.D.4
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