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EDKB Publications

1. Tong W, Xie Q, Hong H, Fang H, Shi L, Perkins R, A QSAR got to know its limitation: The importance of prediction confidence and application domain in Decision Forest for regulatory application, Environmental Health Perspectives, 112 (12), August 2004  PDF | WORD
    
2. Fang H, Tong W, Welsh W, Sheehan DM. QSAR Models in Receptor-Mediated Effects: The Nuclear Receptor Superfamily. J Mol Struct (THEOCHEM) 622:113-125, 2003 PDF | WORD
    
3. Tong W, Hong H, Fang H, Xie Q, Perkins R. Decision Forest: Combining the predictions of multiple independent decision tree models, J Chem Inf Comput Sci. 43(2):525-531, 2003. Abstract | PDF | WORD
    
4. Tong W, Fang H, Hong H, Xie Q, Perkins R, Anson J, Sheehan D. Regulatory application of SAR/QSAR for priority setting of endocrine disruptors – A perspective, Pure and Applied Chem, 75(11-12):2375-2388, 2003 Abstract | PDF | WORD
    
5. Hong H, Fang H, Xie Q, Perkins R, Sheehan DM, Tong W. Comparative Molecular Field Analysis (CoMFA) Model Using a Large Diverse Set of Natural, Synthetic and Environmental Chemicals for Binding to the Androgen Receptor, SAR/QSAR Environ Res, 14(5-6): 373-388, 2003. Abstract | PDF | WORD
    
6. Fang H, Tong W, Branham W, Moland CL, Dial SL, Hong H, Xie Q, Perkins R, Owens W, Sheehan DM. Study of 202 Natural, Synthetic and Environmental Chemicals for Binding to the Androgen Receptor, Chem Res Toxicol, 2003, 16:1338-1358. Review. Abstract | PDF | WORD
    
7. Walker JD, Fang H, Perkins R, Tong W. QSARs for Endocrine Disruption Priority Setting Database 2: The Integrated 4-Phase Model, QSAR Comb. Sci. 22(1): 89-105 (2003). PDF | WORD
    
8. Perkins R, Fang H, Tong W, Welsh W. Quantitative Structure-Activity Relationship Methods: Perspectives on Drug Discovery and Toxicology, Environmental Toxicology and Chemistry, 22(8): 1666-1679, 2003 Abstract | PDF | WORD
    
9. Tong W, Welsh W, Shi L, Fang H, Perkins R. Structure-Activity Relationship Approaches and Applications, Environmental Toxicology and Chemistry, 22(8): 1680-1695, 2003 Abstract | PDF | WORD
    
10. Yu SJ, Keenan SM, Tong W, Welsh WJ. Influence of the Structural Diversity of Data Sets on the Statistical Quality of Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Models: Predicting the Estrogenic Activity of Xenoestrogens, Chem Res Toxicol, 15 (10): 1229-1234, 2002. Abstract | PDF | WORD
     
11. Tong W, Perkins R, Fang H, Hong H, Xie Q, Branham W, Sheehan D, Anson J. Development of Quantitative Structure-Activity Relationships (QSARs) and Their Use for Priority Setting in the Testing Strategy of Endocrine Disruptors, Regulatory Research Perspectives, 1(3):1-16, 2002   PDF | WORD
     
12. Branham WS, Dial SL, Moland CL, Hass B, Blair R, Fang H, Shi L, Tong W, Perkins R, Sheehan DM. Phytoestrogen and Mycoestrogen Bind to the Rat Uterine Estrogen Receptor, Journal of Nutrition; 132(4):658-664, 2002. HTML | PDF | WORD
     
13. Shi LM, Tong W, Fang H, Perkins R, Wu J, Tu M, Blair R, Branham W, Waller C, Walker J, Sheehan D. An integrated "4-Phase" approach for setting endocrine disruption screening priorities - Phase I and II predictions of estrogen receptor binding affinity, SAR/QSAR in Environ. Res. 13(1):69-88, 2002. Abstract | PDF | WORD
     
14. Hong H, Tong W, Fang H, Shi L, Xie Q, Wu J, Perkins R, Walker JD, Branham W, Sheehan D. Prediction of estrogen receptor binding for 58,000 chemicals using an integrated system of a tree-based model with structural alerts, Environ. Health Perspect. 2002 Jan;110(1):29-36. Abstract | PDF | WORD
     
15. Fang H, Tong W, Shi L, Blair R, Perkins R, Branham WS, Hass BS, Xie Qian, Dial SL, Moland CL, Sheehan DM. Structure - activity relationships for a large diverse set of natural, synthetic and environmental estrogens, Chem. Res. Toxicol. 14(3): 280-294, 2001. Abstract | PDF | WORD
     
16. Shi LM, Fang H, Tong W, Wu J, Perkins R, Blair R, Branham W, Dial SL, Moland CL, Sheehan D. QSAR models using a large diverse set of estrogens, J. Chem. Inf. Comp. Sci. 41(1): 186-195, 2001. Abstract | PDF | WORD
     
17. Blair R, Fang H, Gaylor D, Sheehan DM. Threshold analysis of selected dose-response data for endocrine active chemicals, Acta Pathologica, Microbiologica et Immunologica Scandinavica (APMIS), 109:198-208(2001). Abstract | PDF | WORD
     
18. Fang H, Tong W, Perkins R, Soto A, Prechtl N, Sheehan DM. Quantitative comparison of in vitro assays for estrogenic activities, Environ. Health Perspect. 108(8): 723-729; 2000. Abstract | PDF | WORD
     
19. Blair R, Fang H, Branham WS, Hass B, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands, Toxicol. Sci. 54:138-153; 2000. Abstract | PDF | WORD
     
20. Tong W, Perkins R, Sheehan DM. Perspectives on three-dimensional Quantitative Structure-Activity Relationship (3D-QSAR)/Comparative Molecular Field Analysis (CoMFA) in determining estrogenic effects, Japan Chemistry Today 2:50-57; 1999. HTML | PDF | Abstract
     
21. Xing L, Welsh WJ, Tong W, Perkins R, Sheehan DM. Comparison of estrogen receptor alpha and beta subtypes based on comparative molecular field analysis (CoMFA), SAR/QSAR Environ. Res. 10:215-237; 1999. Abstract
     
22. Tong W, Perkins R, Wu J, Shi L, Tu M, Fang H, Blair R, Branham W, Sheehan DM. An intergrated computational approach for prioritizing potential estrogens, Yokohama Workshop on Environmental Endocrine Disruptors '99: Possible Effect on Human and Wildlife, p.247-254, Yokohama, Japan, 1999. HTML | PDF | Abstract
     
23. Tong W, Lowis DR, Perkins R, Chen Y, Welsh WJ, Goddette DW, Heritage TW, Sheehan DM. Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor, J. Chem. Inf. Comput. Sci. 38:669-77; 1998. Abstract | PDF | WORD
     
24. Tong W, Collantes ER, Welsh WJ, Berglund B, Howlett A, Derivation of a Pharmacophore Model for Anandamide Using Constrained Conformational Searching and Comparative Molecular Field Analysis (CoMFA), J Med Chem, 41:4207-4215,1998. Abstract
     
25. Tong W, Perkins R, Strelitz R, Collantes ER, Keenan S, Welsh WJ, Branham WS, Sheehan DM. Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species, Environ. Health Perspect. 105:1116-24; 1997. Abstract
     
26. Tong W, Perkins R, Xing L, Welsh WJ, Sheehan DM. QSAR models for binding of estrogenic compounds to estrogen receptor alpha and beta subtypes, Endocrin. 138:4022-5; 1997. Abstract | PDF | WORD

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