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Grantee Research Project Results

Grantee Research Project Results

Journal Publications Details for:

Computational Tools for the Prediction and Classification of Estrogenic Compounds
Grant Number R826133
RFA: Endocrine Disruptors (1997)


Other views: All publications Selected publication types Publications submitted after final report Redisplay this page with Reference Title, Journal, and Author Columns Display this page in RIS format

Journal Article (15)
Reference Type Citation Progress Report Year Document Sources
Journal Article DeLisle RK, Yu SJ, Nair AC, Welsh WJ. Homology modeling of the estrogen receptor subtype β (ER-β) and calculation of ligand binding affinities. Journal of Molecular Graphics & Modelling 2001;20(2):155-167
abstract available    
R826133 (Final)
not available
Journal Article Fang H, Tong WD, Welsh WJ, Sheehan DM. QSAR models in receptor-mediated effects: the nuclear receptor superfamily. Journal of Molecular Structure-Theochem 2003;622(1-2):113-125
abstract available    
R826133 (Final)
not available
Journal Article Ouyang M, Welsh WJ, Georgopoulos P. Gaussian mixture clustering and imputation of microarray data. Bioinformatics 2004;20(6):917-923
abstract available    
R826133 (Final)
not available
Journal Article Perkins R, Fang H, Tong WD, Welsh WJ. Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology. Environmental Toxicology and Chemistry 2003;22(8):1666-1679.
R826133 (Final)
not available
Journal Article Puri S, Chickos JS, Welsh WJ. Determination of vaporization enthalpies of polychlorinated biphenyls by correlation gas chromatography. Analytical Chemistry 2001;73(7):1480-1484.
R826133 (Final)
not available
Journal Article Puri S, Chickos JS, Welsh WJ. Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): Enthalpy of sublimation. Journal of Chemical Information and Computer Sciences 2002;42(1):109-116.
R826133 (Final)
not available
Journal Article Puri S, Chickos JS, Welsh WJ. Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): Enthalpies of fusion and their application to estimates of enthalpies of sublimation and aqueous solubilities. Journal of Chemical Information and Computer Sciences 2003;43(1):55-62.
R826133 (Final)
not available
Journal Article

Tabb MM, Kholodovych V, Grün F, Zhou C, Welsh WJ, Blumberg B. Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR). Environmental Health Perspectives 2004;112(2):163-169.


abstract available     full text available
CR830686 (2003)
CR830686 (2006)
R826133 (Final)
not available
Journal Article Tamura H, Yoshikawa H, Gaido KW, Ross SM, DeLisle RK, Welsh WJ, Richard AM. Interaction of organophosphate pesticides and related compounds with the androgen receptor. Environmental Health Perspectives 2003;111(4):545-552
abstract available    
R826133 (Final)
not available
Journal Article Tong W, Welsh WJ, Shi LM, Fang H, Perkins R. Structure-activity relationship approaches and applications. Environmental Toxicology and Chemistry 2003;22(8):1680-1695.
R826133 (Final)
not available
Journal Article 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. 1998;38(4):669-677.
abstract available    
R826133 (Final)
not available
Journal Article Xing L,Welsh WJ, Tong W, Perkins R, Sheehan DM. Comparison of estrogen receptor α and β subtypes based on comparative molecular field analysis (CoMFA). SAR and QSAR in Environmental Research 1999;10(2-3):215-237.
R826133 (Final)
not available
Journal Article Yoon S, Welsh WJ. Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring. Journal of Chemical Information and Computer Sciences 2004;44(1):88-96
abstract available    
R826133 (Final)
not available
Journal Article Yu SJ, Keenan SM, Tong W, Welsh WJ. Influence of the structural diversity of data sets on the statistical quality of three-dimensional quantitative-activity relationship (3D-QSAR) models: Predicting the estrogenic activity of xenoestrogens. Chemical Research in Toxicology 2002;15(10):1229-1234
abstract available    
R826133 (Final)
not available
Journal Article Zauhar RJ, Moyna G, Tian LF, Li ZJ, Welsh WJ. Shape signatures: A new approach to computer-aided ligand- and receptor-based drug design. Journal of Medicinal Chemistry 2003;46(26):5674-5690
abstract available    
R826133 (Final)
not available

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The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.

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