TY  - JOUR
A1  - DeLisle, R K
A1  - Yu, S J
A1  - Nair, A C
A1  - Welsh, W J
T1  - Homology modeling of the estrogen receptor subtype β (ER-β) and calculation of ligand binding affinities
Y1  - 2001//
N1  - R826133
JF  - JOURNAL OF MOLECULAR GRAPHICS & MODELLING
J1  - J MOL GRAPH MODEL
VL  - 20
IS  - 2
SP  - 155
EP  - 167
ER  - 


TY  - JOUR
A1  - Fang, H 
A1  - Tong, W D
A1  - Welsh, W J
A1  - Sheehan, D M
T1  - QSAR models in receptor-mediated effects: the nuclear receptor superfamily
Y1  - 2003//
N1  - R826133
JF  - JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
J1  - J MOL STRUC-THEOCHEM
VL  - 622
IS  - 1-2
SP  - 113
EP  - 125
ER  - 


TY  - JOUR
A1  - Ouyang, M 
A1  - Welsh, W J
A1  - Georgopoulos, P 
T1  - Gaussian mixture clustering and imputation of microarray data
Y1  - 2004//
N1  - R826133
JF  - BIOINFORMATICS
J1  - BIOINFORMATICS
J2  - LECT NOTES COMPUT SC
J3  - METHOD BIOCHEM ANAL
VL  - 20
IS  - 6
SP  - 917
EP  - 923
ER  - 


TY  - JOUR
A1  - Perkins, R 
A1  - Fang, H 
A1  - Tong, W D
A1  - Welsh, W J
T1  - Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology.
Y1  - 2003//
N1  - R826133
JF  - ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
J1  - ENVIRON TOXICOL CHEM
VL  - 22
IS  - 8
SP  - 1666
EP  - 1679
ER  - 


TY  - JOUR
A1  - Puri, S 
A1  - Chickos, J S
A1  - Welsh, W J
T1  - Determination of vaporization enthalpies of polychlorinated biphenyls by correlation gas chromatography.
Y1  - 2001//
N1  - R826133
JF  - ANALYTICAL CHEMISTRY
J1  - ANAL CHEM
J2  - Analytical Chemistry
VL  - 73
IS  - 7
SP  - 1480
EP  - 1484
ER  - 


TY  - JOUR
A1  - Puri, S 
A1  - Chickos, J S
A1  - Welsh, W J
T1  - Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): Enthalpy of sublimation.
Y1  - 2002//
N1  - R826133
JF  - JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
J1  - J CHEM INF COMP SCI
VL  - 42
IS  - 1
SP  - 109
EP  - 116
ER  - 


TY  - JOUR
A1  - Puri, S 
A1  - Chickos, J S
A1  - Welsh, W J
T1  - 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.
Y1  - 2003//
N1  - R826133
JF  - JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
J1  - J CHEM INF COMP SCI
VL  - 43
IS  - 1
SP  - 55
EP  - 62
ER  - 


TY  - JOUR
A1  - Tabb, M M
A1  - Kholodovych, V 
A1  - Grün, F 
A1  - Zhou, C 
A1  - Welsh, W J
A1  - Blumberg, B 
T1  - Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR).
Y1  - 2004//
N1  - R826133
N1  - CR830686
JF  - ENVIRONMENTAL HEALTH PERSPECTIVES
J1  - ENVIRON HEALTH PERSP
J2  - Environ.Health Perspect.
J3  - Environ Health Perspect
J4  - Environmental Health Perspectives
VL  - 112
IS  - 2
SP  - 163
EP  - 169
ER  - 


TY  - JOUR
A1  - Tamura, H 
A1  - Yoshikawa, H 
A1  - Gaido, K W
A1  - Ross, S M
A1  - DeLisle, R K
A1  - Welsh, W J
A1  - Richard, A M
T1  - Interaction of organophosphate pesticides and related compounds with the androgen receptor
Y1  - 2003//
N1  - R826133
JF  - ENVIRONMENTAL HEALTH PERSPECTIVES
J1  - ENVIRON HEALTH PERSP
J2  - Environ.Health Perspect.
J3  - Environ Health Perspect
J4  - Environmental Health Perspectives
VL  - 111
IS  - 4
SP  - 545
EP  - 552
ER  - 


TY  - JOUR
A1  - Tong, W D
A1  - Welsh, W J
A1  - Shi, L M
A1  - Fang, H 
A1  - Perkins, R 
T1  - Structure-activity relationship approaches and applications.
Y1  - 2003//
N1  - R826133
JF  - ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
J1  - ENVIRON TOXICOL CHEM
VL  - 22
IS  - 8
SP  - 1680
EP  - 1695
ER  - 


TY  - JOUR
A1  - Tong, W. 
A1  - Lowis, D. R.
A1  - Perkins, R. 
A1  - Chen, Y. 
A1  - Welsh, W. J.
A1  - Goddette, D. W.
A1  - Heritage, T. W.
A1  - Sheehan, D. M.
T1  - Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor
Y1  - 1998/07/
N1  - R826133
VL  - 38
IS  - 4
SP  - 669
EP  - 677
ER  - 


TY  - JOUR
A1  - Xing, L 
A1  - Welsh, W J
A1  - Tong, W D
A1  - Perkins, R 
A1  - Sheehan, D M
T1  - Comparison of estrogen receptor α and β subtypes based on comparative molecular field analysis (CoMFA).
Y1  - 1999//
N1  - R826133
JF  - SAR AND QSAR IN ENVIRONMENTAL RESEARCH
J1  - SAR QSAR ENVIRON RES
VL  - 10
IS  - 2-3
SP  - 215
EP  - 237
ER  - 


TY  - JOUR
A1  - Yoon, S 
A1  - Welsh, W J
T1  - Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring
Y1  - 2004//
N1  - R826133
JF  - JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
J1  - J CHEM INF COMP SCI
VL  - 44
IS  - 1
SP  - 88
EP  - 96
ER  - 


TY  - JOUR
A1  - Yu, S J
A1  - Keenan, S M
A1  - Tong, W 
A1  - Welsh, W J
T1  - 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
Y1  - 2002//
N1  - R826133
JF  - CHEMICAL RESEARCH IN TOXICOLOGY
J1  - CHEM RES TOXICOL
VL  - 15
IS  - 10
SP  - 1229
EP  - 1234
ER  - 


TY  - JOUR
A1  - Zauhar, R J
A1  - Moyna, G 
A1  - Tian, L F
A1  - Li, Z J
A1  - Welsh, W J
T1  - Shape signatures: A new approach to computer-aided ligand- and receptor-based drug design
Y1  - 2003//
N1  - R826133
JF  - JOURNAL OF MEDICINAL CHEMISTRY
J1  - J MED CHEM
VL  - 46
IS  - 26
SP  - 5674
EP  - 5690
ER  - 


TY  - SER
A1  - Tong, W 
A1  - Perkins, R 
A1  - Xing, L 
A1  - Welsh, W J
A1  - Sheehan, D M
T1  - Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species.
N1  - R826133
ER  - 


TY  - CONF
A1  - Ai, N 
A1  - Yu, S 
A1  - Delisle, R K
A1  - Welsh, W J
T1  - Computational models for predicting the binding affinities of ligands for the androgen receptor.
Y1  - 2006/11/17
N1  - R826133
N1  - R832721
ER  - 


TY  - CONF
A1  - Aksenova, T I
A1  - Tetko, I V
A1  - Volkovich, V V
A1  - Puri, S 
A1  - Chickos, J A
A1  - Welsh, W J
T1  - The polynomial neural network (PNN): applications in environmental and toxicological studies.
N1  - R826133
ER  - 


TY  - CONF
A1  - Chen, Y 
A1  - Xing, L 
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D M
T1  - A QSAR study of the binding of suspected endocrine disrupting compounds (EDCs) to the estrogen receptor.
N1  - R826133
ER  - 


TY  - CONF
A1  - Chen, Y 
A1  - Tong, W 
A1  - Perkins, R 
A1  - Xing, L 
A1  - Welsh, W J
T1  - QSAR study of the binding of potential endocrine disrupting compounds to the estrogen receptor.
N1  - R826133
ER  - 


TY  - CONF
A1  - Collantes, E R
A1  - Tong, W 
A1  - Chickos, J S
A1  - Welsh, W J
T1  - 3D-QSAR models for predicting HPLC retention and sublimation enthalpies of polycyclic aromatic hydrocarbons.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Ni, A 
A1  - Welsh, W J
T1  - Androgen receptor homology modeling and computational analysis of ligand binding.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Puri, S 
A1  - Dakshanamurthy, S 
A1  - Welsh, W J
T1  - Computational modeling of peroxisome proliferator activated receptor ligand binding.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Smith, D A
A1  - Welsh, W J
T1  - Development of two computational models of toxicological endpoints: aerobic biodegradability and skin sensitization.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Yu, S J
A1  - Welsh, W J
T1  - Homology modeling of estrogen receptor subtype b (ER-b).
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Mills, C 
A1  - Welsh, W J
T1  - Homology modeling of the androgen receptor and investigation of mutational effects on ligand binding.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Yu, S 
A1  - Nair, A C
A1  - Mills, C 
A1  - Welsh, W J
T1  - 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.
N1  - R826133
ER  - 


TY  - CONF
A1  - DeLisle, R K
A1  - Welsh, W J
T1  - Homology modeling of the glucocorticoid receptor.
N1  - R826133
ER  - 


TY  - CONF
A1  - Perkins, R 
A1  - Anson, J 
A1  - Branham, W 
A1  - Fang, H 
A1  - Tong, W 
A1  - Welsh, W J
A1  - Chen, Y 
A1  - Meehan, J 
A1  - Jackson, M 
A1  - Nossaman, R 
A1  - Shi, L 
A1  - Sheehan, D 
T1  - The estrogen knowledge base (EKB): a prototype toxicological knowledge base for endocrine disrupting compounds.
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - Computational models for predicting the thermodynamic properties of polychlorinated biphenyls (PCBs).
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Chickos, J S
A1  - Welsh, W J
T1  - Computational study of the thermodynamic properties of polychlorinated biphenyls.
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - Determination of vaporization enthalpies of polychlorinated biphenyls using correlation gas chromatography.
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - Experimental determination of enthalpies of vaporization of polychlorinated biphenyls (PCBs) using correlation gas chromatography.
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - Integrated computational and experimental investigation of the thermodynamic properties of polychlorinated biphenyls (PCBs).
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - Prediction of thermodynamic properties of polychlorinated biphenyls using computational methods.
N1  - R826133
ER  - 


TY  - CONF
A1  - Puri, S 
A1  - Welsh, W J
A1  - Chickos, J S
T1  - 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.
N1  - R826133
ER  - 


TY  - CONF
A1  - Shi, L 
A1  - Tong, W 
A1  - Perkins, R 
A1  - Tu, M 
A1  - Meehan, J 
A1  - Nossaman, R 
A1  - Welsh, W J
A1  - Fang, H 
A1  - Branham, W 
A1  - Blair, B 
A1  - Haas, B 
A1  - Sheehan, D 
T1  - QSAR models for multiple estrogenic endpoints.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D M
A1  - Welsh, W J
A1  - Lowis, D R
A1  - Heritage, T W
A1  - Goddette, D W
T1  - Application of the holographic QSAR (HQSAR) method to predict the biological activity of environmental estrogens.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Fang, H 
A1  - Welsh, W J
A1  - Sheehan, D M
T1  - Computational approaches to determining estrogenic activity.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Chen, Y 
A1  - Welsh, W J
A1  - Sheehan, D M
T1  - Evaluation of various QSAR methods for the large-scale prediction of estrogenic compounds.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Chen, Y 
A1  - Shvets, V 
A1  - Xing, L 
A1  - Welsh, W J
A1  - Sheehan, D M
T1  - QSAR models for estrogen binding to the estrogen receptors a and b.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Streilitz, R 
A1  - Collantes, E R
A1  - Welsh, W J
T1  - QSAR studies of estrogen receptor binding affinity.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Streilitz, R 
A1  - Collantes, E R
A1  - Welsh, W J
T1  - QSAR studies of estrogen receptor binding affinity.
N1  - R826133
ER  - 


TY  - CONF
A1  - Tong, W 
A1  - Perkins, R 
A1  - Collantes, E R
A1  - Welsh, W J
A1  - Branham, W S
A1  - Sheehan, D M
T1  - Quantitative structure-activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
A1  - Puri, S 
A1  - Yu, S 
A1  - Kovalishyn, V V
A1  - Kholodovych, V V
A1  - Tetko, I V
T1  - 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.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Computational models for the discovery of novel ligands for nuclear hormone receptors.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Computational predictive models for estrogenic compounds.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
A1  - DeLisle, R K
A1  - Yu, S J
A1  - Nair, A 
T1  - Computational strategies for predicting the binding affinity of ligands to estrogen receptor (ER) subtypes a and b: homology modeling of ERb.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
A1  - Yu, S J
A1  - Derington, D C
A1  - Greco, R J
T1  - 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.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Computational studies on estrogenic compounds for therapeutic applications.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Computer-aided chemistry: applications to drug design and structure-activity relationships of estrogenic compounds.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Predictive quantitative structure-activity relationship (QSAR) models: applications in environmental, toxicological and pharmaceutical chemistry.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Quantitative predictions for risk assessment of environmental chemicals.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
A1  - Yu, S J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Chen, Y 
A1  - Sheehan, D M
T1  - Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens.
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
A1  - Yu, S J
A1  - Chen, Y 
A1  - Tong, R 
A1  - Perkins, W 
A1  - Sheehan, D 
T1  - Quantitative structure-activity relationship (QSAR) models useful for risk assessment in predicting suspected endocrine disrupting compounds (EDCs).
N1  - R826133
ER  - 


TY  - CONF
A1  - Welsh, W J
T1  - Rational design of selective estrogen receptor modulators (SERMs).
N1  - R826133
ER  - 


TY  - CONF
A1  - WJ, W 
A1  - Yu, S 
A1  - Chen, Y 
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D 
T1  - 3D-QSAR models for the prediction of suspected endocrine disrupting compounds.
N1  - R826133
ER  - 


TY  - CONF
A1  - Xing, L 
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D 
T1  - 3D-QSAR studies of the binding of estrogenic compounds to the estrogen receptor a and b subtypes.
N1  - R826133
ER  - 


TY  - CONF
A1  - Xing, L 
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D M
T1  - 3D-QSAR/CoMFA models for the binding of estrogenic compounds to the estrogen receptor a and b subtypes.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S J
A1  - Welsh, W J
A1  - Chen, Y 
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D M
T1  - Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - Welsh, W J
A1  - Derington, D C
A1  - Greco, R J
T1  - 3-D-QSAR/CoMFA models for raloxifene (Evista) derivatives as estrogen-receptor modulators.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - DeLisle, R K
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D 
T1  - Computational approaches for predicting the estrogenic activity of xenoestrogens: application of 3D-QSAR models and homology modeling of estrogen receptor subtype-b.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - DeLisle, R K
A1  - Welsh, W J
A1  - Kovalishyn, V V
A1  - Kholodovych, V V
A1  - Tetko, I V
A1  - Zauhar, R 
T1  - Computational chemistry tools for predicting suspected endocrine-disrupting compounds in risk assessment.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - DeLisle, R K
A1  - Welsh, W J
T1  - 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.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Sheehan, D 
T1  - Predicting the estrogenic activity of xenoestrogens to estrogen receptor alpha and beta subtypes: comparative molecular field analysis.
N1  - R826133
ER  - 


TY  - CONF
A1  - Yu, S 
A1  - Welsh, W J
A1  - Tong, W 
A1  - Perkins, R 
A1  - Chen, Y 
A1  - Sheehan, D 
T1  - Quantitative structure-activity relationship (QSAR) models for predicting the estrogenic activity of xenoestrogens to estrogen receptor a and b subtypes.
N1  - R826133
ER  - 


TY  - CONF
A1  - Zauhar, R J
A1  - Fretz, J 
A1  - Welsh, W J
T1  - Application of "shape signatures" to the identification of environmental estrogens.
N1  - R826133
ER  - 


TY  - CONF
A1  - Perkins, R 
A1  - Anson, J 
A1  - Branham, W 
A1  - Fang, H 
A1  - Tong, W 
A1  - Chen, Y 
A1  - Meehan, J 
A1  - Jackson, M 
A1  - Nossaman, R 
A1  - Shi, L 
A1  - Sheehan, D 
T1  - The estrogen knowledge base (EKB), a prototype toxicological knowledge base for endocrine disrupting compounds.
N1  - R826133
ER  -