Publications Details for:

Computational Tools for the Prediction and Classification of Estrogenic Compounds
Grant Number R826133
RFA: Endocrine Disruptors (1997)
Journal Article (15)
Paper (1)
Presentation (51)
Proceedings (1)
Reference Type Reference Title Journal Author Citation Progress Report Year Document Sources
Journal Article Homology modeling of the estrogen receptor subtype β (ER-β) and calculation of ligand binding affinities JOURNAL OF MOLECULAR GRAPHICS & MODELLING DeLisle RK, Yu SJ, Nair AC, Welsh WJ 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 R826133 (Final)
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Journal Article QSAR models in receptor-mediated effects: the nuclear receptor superfamily JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM Fang H, Tong WD, Welsh WJ, Sheehan DM 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 R826133 (Final)
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Journal Article Gaussian mixture clustering and imputation of microarray data BIOINFORMATICS Ouyang M, Welsh WJ, Georgopoulos P Ouyang M, Welsh WJ, Georgopoulos P. Gaussian mixture clustering and imputation of microarray data. Bioinformatics 2004;20(6):917-923 R826133 (Final)
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Journal Article Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY Perkins R, Fang H, Tong WD, Welsh WJ 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)
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Journal Article Determination of vaporization enthalpies of polychlorinated biphenyls by correlation gas chromatography. ANALYTICAL CHEMISTRY Puri S, Chickos JS, Welsh WJ 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)
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Journal Article 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 Puri S, Chickos JS, Welsh WJ 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)
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Journal Article 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 Puri S, Chickos JS, Welsh WJ 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)
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Journal Article Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR). ENVIRONMENTAL HEALTH PERSPECTIVES Tabb MM, Kholodovych V, Grün F, Zhou C, Welsh WJ, Blumberg B

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.

CR830686 (2003)
CR830686 (2006)
R826133 (Final)
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Journal Article Interaction of organophosphate pesticides and related compounds with the androgen receptor ENVIRONMENTAL HEALTH PERSPECTIVES Tamura H, Yoshikawa H, Gaido KW, Ross SM, DeLisle RK, Welsh WJ, Richard AM 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 R826133 (Final)
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Journal Article Structure-activity relationship approaches and applications. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY Tong W, Welsh WJ, Shi LM, Fang H, Perkins R 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)
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Journal Article Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor None Tong W, Lowis DR, Perkins R, Chen Y, Welsh WJ, Goddette DW, Heritage TW, Sheehan DM 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. R826133 (Final)
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Journal Article Comparison of estrogen receptor α and β subtypes based on comparative molecular field analysis (CoMFA). SAR AND QSAR IN ENVIRONMENTAL RESEARCH Xing L,Welsh WJ, Tong W, Perkins R, Sheehan DM 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)
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Journal Article Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES Yoon S, Welsh WJ 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 R826133 (Final)
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Journal Article 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 Yu SJ, Keenan SM, Tong W, Welsh WJ 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 R826133 (Final)
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Journal Article Shape signatures: A new approach to computer-aided ligand- and receptor-based drug design JOURNAL OF MEDICINAL CHEMISTRY Zauhar RJ, Moyna G, Tian LF, Li ZJ, Welsh WJ 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 R826133 (Final)
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Paper Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species. None Tong W, Perkins R, Xing L, Welsh WJ, Sheehan DM Tong W, Perkins R, Xing L, Welsh WJ, Sheehan DM. Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species. Preprint Paper of the American Chemical Society National Meeting, American Chemical Society, Division of Environmental Chemistry, 1997, Vol. 37, pp. 4-7. R826133 (Final)
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Presentation Computational models for predicting the binding affinities of ligands for the androgen receptor. None Ai N, Yu S-J, Delisle RK, Welsh WJ Ai N, Yu S-J, Delisle RK, Welsh WJ. Computational models for predicting the binding affinities of ligands for the androgen receptor. Presented at the ebCTC Overview Workshop, Piscataway, NJ, November 17, 2006. R826133 (Final)
R832721 (2007)
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Presentation The polynomial neural network (PNN): applications in environmental and toxicological studies. None Aksenova TI, Tetko IV, Volkovich VV, Puri S, Chickos JA, Welsh WJ Aksenova TI, Tetko IV, Volkovich VV, Puri S, Chickos JA, Welsh WJ. The polynomial neural network (PNN): applications in environmental and toxicological studies. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April, 2001. R826133 (Final)
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Presentation A QSAR study of the binding of suspected endocrine disrupting compounds (EDCs) to the estrogen receptor. None Chen Y, Xing L, Welsh WJ, Tong W, Perkins R, Sheehan DM Chen Y, Xing L, Welsh WJ, Tong W, Perkins R, Sheehan DM. A QSAR study of the binding of suspected endocrine disrupting compounds (EDCs) to the estrogen receptor. Presented at the Workshop on Computational Methods in Toxicology, organized by the Air Force Research Laboratory and the Air Force Office of Scientific Research, Dayton, OH, April 1998. R826133 (Final)
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Presentation QSAR study of the binding of potential endocrine disrupting compounds to the estrogen receptor. None Chen Y, Tong W, Perkins R, Xing L, Welsh WJ Chen Y, Tong W, Perkins R, Xing L, Welsh WJ. QSAR study of the binding of potential endocrine disrupting compounds to the estrogen receptor. Presented at the 32nd Midwest American Chemical Society Meeting, Osage Beach, MO, October 1997. R826133 (Final)
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Presentation 3D-QSAR models for predicting HPLC retention and sublimation enthalpies of polycyclic aromatic hydrocarbons. None Collantes ER, Tong W, Chickos JS, Welsh WJ Collantes ER, Tong W, Chickos JS, Welsh WJ. 3D-QSAR models for predicting HPLC retention and sublimation enthalpies of polycyclic aromatic hydrocarbons. Presented at the 32nd Midwest American Chemical Society Meeting, Osage Beach, MO, October 1997. R826133 (Final)
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Presentation Androgen receptor homology modeling and computational analysis of ligand binding. None DeLisle RK, Ni A, Welsh WJ DeLisle RK, Ni A, Welsh WJ. Androgen receptor homology modeling and computational analysis of ligand binding. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation Computational modeling of peroxisome proliferator activated receptor ligand binding. None DeLisle RK, Puri S, Dakshanamurthy S, Welsh WJ DeLisle RK, Puri S, Dakshanamurthy S, Welsh WJ. Computational modeling of peroxisome proliferator activated receptor ligand binding. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation Development of two computational models of toxicological endpoints: aerobic biodegradability and skin sensitization. None DeLisle RK, Smith DA, Welsh WJ DeLisle RK, Smith DA, Welsh WJ. Development of two computational models of toxicological endpoints: aerobic biodegradability and skin sensitization. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation Homology modeling of estrogen receptor subtype b (ER-b). None DeLisle RK, Yu SJ, Welsh WJ DeLisle RK,Yu S-J, Welsh WJ. Homology modeling of estrogen receptor subtype b (ER-b). Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Homology modeling of the androgen receptor and investigation of mutational effects on ligand binding. None DeLisle RK, Mills C, Welsh WJ DeLisle RK, Mills C, Welsh WJ. Homology modeling of the androgen receptor and investigation of mutational effects on ligand binding. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, October 2000. R826133 (Final)
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Presentation Homology modeling of the estrogen receptor subtype b (ERb), the androgen receptor (AR), and the glucocorticoid receptor (GR): investigation of mutational effects on ligand binding. None DeLisle RK, Yu S-J, Nair AC, Mills C, Welsh WJ DeLisle RK, Yu S-J, Nair AC, Mills C, Welsh WJ. Homology modeling of the estrogen receptor subtype b (ERb), the androgen receptor (AR), and the glucocorticoid receptor (GR): investigation of mutational effects on ligand binding. Presented at the e.hormone 2000 Conference, New Orleans, LA, October 2000. R826133 (Final)
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Presentation Homology modeling of the glucocorticoid receptor. None DeLisle RK, Welsh WJ DeLisle RK, Welsh WJ. Homology modeling of the glucocorticoid receptor. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, October 2000. R826133 (Final)
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Presentation The estrogen knowledge base (EKB): a prototype toxicological knowledge base for endocrine disrupting compounds. None Perkins R, Anson J, Branham W, Fang H, Tong W, Welsh WJ, Chen Y, Meehan J, Jackson M, Nossaman R, Shi L, Sheehan D Perkins R, Anson J, Branham W, Fang H, Tong W, Welsh WJ, Chen Y, Meehan J, Jackson M, Nossaman R, Shi L, Sheehan D. The estrogen knowledge base (EKB): a prototype toxicological knowledge base for endocrine disrupting compounds. Presented at the 8th International Workshop on Quantitative Structure-Activity Relationships (QSARs) in the Environmental Sciences, sponsored by the Society of Environmental Toxicology and Chemistry (SETAC) and the SETAC Foundation for Environmental Education, Baltimore, MD, May 1998. R826133 (Final)
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Presentation Computational models for predicting the thermodynamic properties of polychlorinated biphenyls (PCBs). None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ ,Chickos JS. Computational models for predicting the thermodynamic properties of polychlorinated biphenyls (PCBs). Presented at the Mid-Atlantic Industrial & Hazardous Waste Conference, New York, NY May 2001. R826133 (Final)
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Presentation Computational study of the thermodynamic properties of polychlorinated biphenyls. None Puri S, Chickos JS, Welsh WJ Puri S, Chickos JS, Welsh WJ. Computational study of the thermodynamic properties of polychlorinated biphenyls. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Determination of vaporization enthalpies of polychlorinated biphenyls using correlation gas chromatography. None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ, Chickos JS. Determination of vaporization enthalpies of polychlorinated biphenyls using correlation gas chromatography. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation Experimental determination of enthalpies of vaporization of polychlorinated biphenyls (PCBs) using correlation gas chromatography. None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ, Chickos JS. Experimental determination of enthalpies of vaporization of polychlorinated biphenyls (PCBs) using correlation gas chromatography. Presented at the Mid-Atlantic Industrial & Hazardous Waste Conference, New York, NY, May 2001. R826133 (Final)
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Presentation Integrated computational and experimental investigation of the thermodynamic properties of polychlorinated biphenyls (PCBs). None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ, Chickos JS. Integrated computational and experimental investigation of the thermodynamic properties of polychlorinated biphenyls (PCBs). Presented at the Mid-Atlantic Industrial & Hazardous Waste Conference, New York, NY, May 2001. R826133 (Final)
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Presentation Prediction of thermodynamic properties of polychlorinated biphenyls using computational methods. None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ, Chickos JS. Prediction of thermodynamic properties of polychlorinated biphenyls using computational methods. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, October 2000. R826133 (Final)
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Presentation Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls: enthalpy of fusion, enthalpy of vaporization and enthalpy of sublimation. None Puri S, Welsh WJ, Chickos JS Puri S, Welsh WJ, Chickos JS. Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls: enthalpy of fusion, enthalpy of vaporization and enthalpy of sublimation. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April, 2001. R826133 (Final)
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Presentation QSAR models for multiple estrogenic endpoints. None Shi L, Tong W, Perkins R, Tu M, Meehan J, Nossaman R, Welsh WJ, Fang H, Branham W, Blair B, Haas B, Sheehan D Shi L, Tong W, Perkins R, Tu M, Meehan J, Nossaman R, Welsh WJ, Fang H, Branham W, Blair B, Haas B, Sheehan D. QSAR models for multiple estrogenic endpoints. Presented at the 1999 Keystone Symposium on Endocrine Disruptors, Tahoe City, CA, January 1999. R826133 (Final)
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Presentation Application of the holographic QSAR (HQSAR) method to predict the biological activity of environmental estrogens. None Tong W, Perkins R, Sheehan DM, Welsh WJ, Lowis DR, Heritage TW, Goddette DW Tong W, Perkins R, Sheehan DM, Welsh WJ, Lowis DR, Heritage TW, Goddette DW. Application of the holographic QSAR (HQSAR) method to predict the biological activity of environmental estrogens. Presented at the National Meeting of the American Chemical Society, Las Vegas, NV, September 1997. R826133 (Final)
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Presentation Computational approaches to determining estrogenic activity. None Tong W, Perkins R, Fang H, Welsh WJ, Sheehan DM Tong W, Perkins R, Fang H, Welsh WJ, Sheehan DM. Computational approaches to determining estrogenic activity. Presented at the 1999 Keystone Symposium on Endocrine Disruptors, Tahoe City, CA, January 1999. R826133 (Final)
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Presentation Evaluation of various QSAR methods for the large-scale prediction of estrogenic compounds. None Tong W, Perkins R, Chen Y, Welsh WJ, Sheehan DM Tong W, Perkins R, Chen Y, Welsh WJ, Sheehan DM. Evaluation of various QSAR methods for the large-scale prediction of estrogenic compounds. Presented at the 8th International Workshop on Quantitative Structure-Activity Relationships (QSARs) in the Environmental Sciences, sponsored by the Society of Environmental Toxicology and Chemistry (SETAC) and the SETAC Foundation for Environmental Education, Baltimore, MD, May 1998. R826133 (Final)
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Presentation QSAR models for estrogen binding to the estrogen receptors a and b. None Tong W, Perkins R, Chen Y, Shvets V, Xing L, Welsh WJ, Sheehan DM Tong W, Perkins R, Chen Y, Shvets V, Xing L, Welsh WJ, Sheehan DM. QSAR models for estrogen binding to the estrogen receptors a and b. Presented at the National Meeting of the American Chemical Society, Las Vegas, NV, September 1997. R826133 (Final)
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Presentation QSAR studies of estrogen receptor binding affinity. None Tong W, Perkins R, Streilitz R, Collantes ER, Welsh WJ Tong W, Perkins R, Streilitz R, Collantes ER,Welsh WJ. QSAR studies of estrogen receptor binding affinity. Presented at the Symposium on Pharmacophoric Mapping, Spring 1997. R826133 (Final)
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Presentation QSAR studies of estrogen receptor binding affinity. None Tong W, Perkins R, Streilitz R, Collantes ER, Welsh WJ Tong W, Perkins R, Streilitz R, Collantes ER,Welsh WJ. QSAR studies of estrogen receptor binding affinity. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, April 1997. R826133 (Final)
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Presentation Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species. None Tong W, Perkins R, Collantes ER, Welsh WJ, Branham WS, Sheehan DM Tong W, Perkins R, Collantes ER, Welsh WJ, Branham WS, Sheehan DM. Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species. Presented at the National Meeting of the American Chemical Society, Las Vegas, NV, September 1997. R826133 (Final)
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Presentation Application of volume learning artificial neural network for quantitative structure-activity relationship studies of polychlorinated biphenyls (PCBs) and estrogenic activity of xenoestrogen to estrogen receptor "- and $-subtypes. None Welsh WJ, Puri S, Yu S-J, Kovalishyn VV, Kholodovych VV, Tetko IV Welsh WJ, Puri S, Yu S-J, Kovalishyn VV, Kholodovych VV, Tetko IV. Application of volume learning artificial neural network for quantitative structure-activity relationship studies of polychlorinated biphenyls (PCBs) and estrogenic activity of xenoestrogen to estrogen receptor "- and $-subtypes. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April, 2001. R826133 (Final)
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Presentation Computational models for the discovery of novel ligands for nuclear hormone receptors. None Welsh WJ Welsh WJ. Computational models for the discovery of novel ligands for nuclear hormone receptors. Presented to Pharmacia, St. Louis, MO, May 2000. R826133 (Final)
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Presentation Computational predictive models for estrogenic compounds. None Welsh WJ Welsh WJ. Computational predictive models for estrogenic compounds. Presented to American Cyanamid, Princeton, NJ, July 1999. R826133 (Final)
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Presentation Computational strategies for predicting the binding affinity of ligands to estrogen receptor (ER) subtypes a and b: homology modeling of ERb. None Welsh WJ, DeLisle RK, Yu SJ, Nair A Welsh WJ, DeLisle RK, Yu S-J, Nair A. Computational strategies for predicting the binding affinity of ligands to estrogen receptor (ER) subtypes a and b: homology modeling of ERb. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Computational studies of raloxifene (evista) derivatives as estrogen receptor modulators: construction of 3D-QSAR/CoMFA and hologram QSAR (HQSAR) models as guides for drug design efforts. None Welsh WJ, Yu SJ, Derington DC, Greco RJ Welsh WJ, Yu S-J, Derington DC, Greco RJ. Computational studies of raloxifene (evista) derivatives as estrogen receptor modulators: construction of 3D-QSAR/CoMFA and hologram QSAR (HQSAR) models as guides for drug design efforts. Presented at the National Meeting of the American Chemical Society, New Orleans, LA, August 1999. R826133 (Final)
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Presentation Computational studies on estrogenic compounds for therapeutic applications. None Welsh WJ Welsh WJ. Computational studies on estrogenic compounds for therapeutic applications. Presented to Entremed, Inc., Rockville, MD, March 2000. R826133 (Final)
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Presentation Computer-aided chemistry: applications to drug design and structure-activity relationships of estrogenic compounds. None Welsh WJ Welsh WJ. Computer-aided chemistry: applications to drug design and structure-activity relationships of estrogenic compounds. Presented to Zeneca Pharmaceuticals, Wilmington, DE, June 1998. R826133 (Final)
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Presentation Predictive quantitative structure-activity relationship (QSAR) models: applications in environmental, toxicological and pharmaceutical chemistry. None Welsh WJ Welsh WJ. Predictive quantitative structure-activity relationship (QSAR) models: applications in environmental, toxicological and pharmaceutical chemistry. Presented to the National Institute of Occupational Safety and Health, Morgantown, WV, December 2000. R826133 (Final)
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Presentation Quantitative predictions for risk assessment of environmental chemicals. None Welsh WJ Welsh WJ. Quantitative predictions for risk assessment of environmental chemicals. Presented at Wright State University and Wright-Patterson Air Force Base, Dayton, OH, November 1998. R826133 (Final)
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Presentation Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens. None Welsh WJ, Yu SJ, Tong W, Perkins R, Chen Y, Sheehan DM Welsh WJ, Yu S-J, Tong W, Perkins R, Chen Y, Sheehan DM. Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens. Presented at the 1999 Keystone Symposia on Endocrine Disruptors, Tahoe City, CA, January 1999. R826133 (Final)
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Presentation Quantitative structure-activity relationship (QSAR) models useful for risk assessment in predicting suspected endocrine disrupting compounds (EDCs). None Welsh WJ, Yu SJ, Chen Y, Tong R, Perkins W, Sheehan D Welsh WJ, Yu S-J, Chen Y, Tong R, Perkins W, Sheehan D. Quantitative structure-activity relationship (QSAR) models useful for risk assessment in predicting suspected endocrine disrupting compounds (EDCs). Presented at the National Meeting of the American Chemical Society, Anaheim, CA, March 1999. R826133 (Final)
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Presentation Rational design of selective estrogen receptor modulators (SERMs). None Welsh WJ Welsh WJ. Rational design of selective estrogen receptor modulators (SERMs). Presented to Bristol-Myers Squibb, Princeton, NJ, May 2000. R826133 (Final)
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Presentation 3D-QSAR models for the prediction of suspected endocrine disrupting compounds. None WJ Welsh, Yu S-J, Chen Y, Tong W, Perkins R, Sheehan D WJ Welsh, Yu S-J, Chen Y, Tong W, Perkins R, Sheehan D. 3D-QSAR models for the prediction of suspected endocrine disrupting compounds. Presented at the Endocrine Disruptors Investigators Meeting, hosted by the National Institute of Environmental Health Sciences (NIEHS) and the U.S. Environmental Protection Agency (EPA), Research Triangle Park, NC, October 1998. R826133 (Final)
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Presentation 3D-QSAR studies of the binding of estrogenic compounds to the estrogen receptor a and b subtypes. None Xing L, Welsh WJ, Tong W, Perkins R, Sheehan D Xing L, Welsh WJ, Tong W, Perkins R, Sheehan D. 3D-QSAR studies of the binding of estrogenic compounds to the estrogen receptor a and b subtypes. Presented at the 8th International Workshop on Quantitative Structure-Activity Relationships (QSARs) in the Environmental Sciences, sponsored by the Society of Environmental Toxicology and Chemistry (SETAC) and the SETAC Foundation for Environmental Education, Baltimore, MD, May 1998. R826133 (Final)
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Presentation 3D-QSAR/CoMFA models for the binding of estrogenic compounds to the estrogen receptor a and b subtypes. None Xing L, Welsh WJ, Tong W, Perkins R, Sheehan DM Xing L, Welsh WJ, Tong W, Perkins R, Sheehan DM. 3D-QSAR/CoMFA models for the binding of estrogenic compounds to the estrogen receptor a and b subtypes. Presented at the 32nd Midwest American Chemical Society Meeting, Osage Beach, MO, October 1997. R826133 (Final)
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Presentation Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens. None Yu SJ, Welsh WJ, Chen Y, Tong W, Perkins R, Sheehan DM Yu S-J, Welsh WJ, Chen Y, Tong W, Perkins R, Sheehan DM. Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens. Presented at the National Meeting of the American Chemical Society, Anaheim, CA, March 1999. R826133 (Final)
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Presentation 3-D-QSAR/CoMFA models for raloxifene (Evista) derivatives as estrogen-receptor modulators. None Yu S-J, Welsh WJ, Derington DC, Greco RJ Yu S-J, Welsh WJ, Derington DC, Greco RJ. 3-D-QSAR/CoMFA models for raloxifene (Evista) derivatives as estrogen-receptor modulators. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Computational approaches for predicting the estrogenic activity of xenoestrogens: application of 3D-QSAR models and homology modeling of estrogen receptor subtype-b. None Yu S-J, DeLisle RK, Welsh WJ, Tong W, Perkins R, Sheehan D Yu S-J, DeLisle RK, Welsh WJ, Tong W, Perkins R, Sheehan D. Computational approaches for predicting the estrogenic activity of xenoestrogens: application of 3D-QSAR models and homology modeling of estrogen receptor subtype-b. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation Computational chemistry tools for predicting suspected endocrine-disrupting compounds in risk assessment. None Yu S-J, DeLisle RK, Welsh WJ, Kovalishyn VV, Kholodovych VV, Tetko IV, Zauhar R Yu S-J, DeLisle RK, Welsh WJ, Kovalishyn VV, Kholodovych VV, Tetko IV, Zauhar R. Computational chemistry tools for predicting suspected endocrine-disrupting compounds in risk assessment. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April 2001. R826133 (Final)
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Presentation High correlation between the observed relative binding affinity (RBA) and calculated binding energy (B.E.) of estrogenic compounds for estrogen receptor a and b subtypes. None Yu S-J, DeLisle RK, Welsh WJ Yu S-J, DeLisle RK, Welsh WJ. High correlation between the observed relative binding affinity (RBA) and calculated binding energy (B.E.) of estrogenic compounds for estrogen receptor a and b subtypes. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Predicting the estrogenic activity of xenoestrogens to estrogen receptor alpha and beta subtypes: comparative molecular field analysis. None Yu S-J, Welsh WJ, Tong W, Perkins R, Sheehan D Yu S-J, Welsh WJ, Tong W, Perkins R, Sheehan D. Predicting the estrogenic activity of xenoestrogens to estrogen receptor alpha and beta subtypes: comparative molecular field analysis. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, October 2000. R826133 (Final)
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Presentation Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens to estrogen receptor a and b subtypes. None Yu S-J, Welsh WJ, Tong W, Perkins R, Chen Y, Sheehan D Yu S-J, Welsh WJ, Tong W, Perkins R, Chen Y, Sheehan D. Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens to estrogen receptor a and b subtypes. Presented at the National Meeting of the American Chemical Society, San Francisco, CA, March 2000. R826133 (Final)
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Presentation Application of "shape signatures" to the identification of environmental estrogens. None Zauhar RJ, Fretz J, Welsh WJ Zauhar RJ, Fretz J, Welsh WJ. Application of "shape signatures" to the identification of environmental estrogens. Presented at the Conference on Issues and Applications in Toxicology and Risk Assessment, Dayton, OH, April, 2001. R826133 (Final)
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Proceedings The estrogen knowledge base (EKB), a prototype toxicological knowledge base for endocrine disrupting compounds. None Perkins R, Anson J, Branham W, Fang H, Tong W, Chen Y, Meehan J, Jackson M, Nossaman R, Shi L, Sheehan D Perkins R, Anson J, Branham W, Fang H, Tong W, Chen Y, Meehan J, Jackson M, Nossaman R, Shi L, Sheehan D. The estrogen knowledge base (EKB), a prototype toxicological knowledge base for endocrine disrupting compounds. In: Walker JD, ed. Proceedings of the Society of Environmental Toxicology and Chemistry Meeting, 2000, pp. 239-245. R826133 (Final)
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