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In vitro and in vivo estrogen receptor data sets
In vitro and in vivo data for the estrogen receptor. The in vivo data is for binding, agonism, and antagonism. The in vivo data is from mouse uterotropic assay data. The following columns are provided in each data set: molecular id, SMILES structure, class (1=active, 0 = inactive), and set (T=training, P=prediction set). This dataset is associated with the following publication: Martin , T. Prediction of in vitro and in vivo oestrogen receptor activity using hierarchical clustering. SAR AND QSAR IN ENVIRONMENTAL RESEARCH. Taylor & Francis, Inc., Philadelphia, PA, USA, 27(1): 17-30, (2016).
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A demonstration of the uncertainty in predicting the estrogenic activity of individual chemicals and mixtures from an in vitro estrogen receptor transcriptional activation assay (T47D-KBluc) to the in vivo uterotrophic assay using oral exposure
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the data set contains the figures and tables from the publication in addition to the means, standard errors of the mean and the sample sizes used in each group for every experiment. the data set also contains a description of the genes, their function and acronyms on the QPCR arrays used in the study. Finally, the dataset includes the histopathology reports on the uterine changes induced by the different chemicals and the criteria used by the pathologist to classify the estrogenic effects of the chemicals. This dataset is associated with the following publication: Conley, J., B. Hannas, V. Wilson, E. Gray, and J. Furr. A demonstration of the uncertainty in predicting the estrogenic activity of individual chemicals and mixtures from an in vitro estrogen receptor transcriptional activation assay (T47D-KBluc) to the in vivo uterotrophic assay using oral exposure. TOXICOLOGICAL SCIENCES. Society of Toxicology, 382-395, (2016).
Data submission for A-0k6f
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List of biomarker genes used to predict estrogen receptor activity in MCF-7 cells; list of microarray accession numbers used in the study. This dataset is associated with the following publication: Vanduyn, N., B. Chorley , R. Tice, R. Judson , and C. Corton. Moving Toward Integrating Gene Expression Profiling into High-throughput Testing:A Gene Expression Biomarker Accurately Predicts Estrogen Receptor α Modulation in a Microarray Compendium. TOXICOLOGICAL SCIENCES. Society of Toxicology, 151(1): 88-103, (2016).
Dataset for ORD-033374: A Gene Expression Biomarker Identifies Chemical Modulators of the Estrogen Receptor α (ERα) in a MCF-7 Microarray Compendium
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Microarray experiments examined in the study. This dataset is associated with the following publication: Rooney, J., N. Ryan, J. Liu, R. Houtman, R. van Beuningen, J. Hsieh, G. Chang, S. Chen, and J. Corton. A Gene Expression Biomarker Identifies Chemical Modulators of Estrogen Receptor α in an MCF-7 Microarray Compendium. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, USA, 34(2): 313-329, (2021).
In vitro transcriptomic analyses reveal pathway perturbations, estrogenic activities, and potencies of data-poor BPA alternative chemicals
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GEOSite dataset for article 'In vitro transcriptomic analyses reveal pathway perturbations, estrogenic activities, and potencies of data-poor BPA alternative chemicals '. This dataset is associated with the following publication: Matteo, G., K. Leingartner, A. Rowan-Carroll, M. Meier, A. Williams, M. Beal, M. Gagne, R. Farmahin, S. Wickramasuriya, A.J. Reardon, T. Barton-Maclaren, J. Corton, C. Yauk, and E. Atlas. In vitro transcriptomic analyses reveal pathway perturbations, estrogenic activities, and potencies of data-poor BPA alternative chemicals. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 191(2): 266-275, (2023).
RJudson Mansouri CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
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Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25 international groups to predict androgen receptor activity of a common set of 55,450 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 91 predictive models for binding, agonist, and antagonist. The consensus values for agonist and antagonist activity are being made public through the CompTox Chemicals Dashboard. This dataset is associated with the following publication: Mansouri, K., N. Kleinstreuer, R. Judson, A. Williams, I. Shah, and A. Richard. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 128(2): 27002, (2020).
Chemical Screening in an Estrogen Receptor Transactivation Assay with Metabolic Competence
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This is an original dataset generated at the U.S. EPA. Data was analyzed with the ToxCast Pipeline and deposited for release in invitroDB accessible via the U.S. EPA CompTox Chemicals Dashboard. Dataset is a zip file containing two Excel spreadsheets titled AIME-ERTA_384_Tables_All_Submission_v2 and README_AIME-ERTA_384_Manuscript_Sup_Data_v2. This dataset is associated with the following publication: Hopperstad, K., D. DeGroot, T. Zurlinden, C. Brinkman, R. Thomas, and C. Deisenroth. Chemical Screening in an Estrogen Receptor Transactivation Assay with Metabolic Competence. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 187(1): 112-126, (2022).
Datasets for Figures and Tables in SIX1 regulates aberrant endometrial epithelial cell differentiation and cancer trajectory
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Data associated with the figures presented in this study are images, graphics, or tabulated data based on histopathologic analysis performed by a certified study pathologist or image analysis. Data for Tables 1 and 2 provide incidence, labeling scores, and p-values for statistical tests for uterine pathology and IHC expression by treatment group and timepoint or human endometrial tissue, as described in the Main Text file of the manuscript. Manual histopathologic data can be found in excel spreadsheets and are based on presence/absences (yes/no) of a pathologic finding and/or severity score as described in the manuscript (Fig. 1, 2, 3, 4). The image analysis data is based on the quantified area that is designated as “positive” for a particular immunohistochemical stain (Fig. 2, 4, and Suppl. Fig. S2). Supplementary Table 1 provides summary information on antibodies used for immunohistochemistry. Supplementary fig. S1 includes real time RT-PCR data standardized to a housekeeping gene and western blot data. This dataset is associated with the following publication: Suen, A., W. Jefferson, C. Wood, and C. Williams. SIX1 regulates aberrant endometrial epithelial cell differentiation and cancer trajectory. Molecular Cancer Research. American Association for Cancer Research, Inc., Philadelphia, PA, USA, 17(12): 2369-2382, (2019).
Estrogen equivalents of surface water and smallmouth bass estrogenic biomarker data in New Jersey, 2016-2017
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The data were gathered as a preliminary assessment of estrogenicity under base-flow conditions at over 100 sites (lakes and streams) throughout New Jersey followed by more targeted sampling of smallmouth bass at nine sites with varying levels of estrogenicity. In 2016, 102 sites (lakes and streams) for the preliminary estrogenicity assessment were selected utilizing compiled results of previous monitoring studies (chemical and biological), current sampling networks, and other areas of concern based on input from stakeholders. Discrete grab surface water samples were collected under base-flow conditions in the fall of 2016 and analyzed for levels of estrogenicity using a bioluminescent yeast screen. Water samples for estrogenicity were also collected from the nine health sites in April/May of 2017 in combination with fish sampling and again in November 2017 under base flow conditions. In the spring of 2017, 20 adult smallmouth bass were collected from each of the nine sites (two river and seven reservoir sites). Fish were collected by boat electroshocking, euthanized in the field, weighed, measured, a blood sample collected and a necropsy completed that included documenting any visible abnormalities and collecting tissues for histopathology. Plasma obtained from blood samples was analyzed for vitellogenin, a yolk precursor widely used as an indicator of estrogenic exposure in immature and male fishes. Five to seven sections of testes were processed for microscopic analyses, embedded in paraffin, sectioned at 5 µm, stained with hematoxylin and eosin. The presence of testicular oocytes was noted and the severity rated from 1 to 4 based on number and arrangement of oocytes.
Comparison of In Vitro Estrogenic Activity and Estrogen Concentrations in Source and Treated Waters from 25 Drinking Water Treatment Plants.
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Compares results of bioassay with hormones measured using analytical chemistry. This dataset is associated with the following publication: Conley, J., H. Mash , N. Evans , K. Schenck , L. Rosenblum, S. Glassmeyer , E.T. Furlong, D.W. Kolpin, and V. Wilson. Comparison of in vitro estrogenic activity and estrogen concentrations in source and treated waters from 25 U.S. drinking water treatment plants. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, N/A, (2016).
Inorganic and organic concentration data collected from 38 streams in the United States, 2012-2014, with supporting data, as part of the Chemical Mixtures and Environmental Effects Pilot Study.
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This USGS data release contains station and laboratory method information and geospatial information, as well as concentration results for inorganic and organic compounds and bioluminescent yeast estrogen screen and transgenic zebrafish embryo estrogren bioassay, analyzed at 38 sites in 25 states as part of the Chemical Mixtures and Environmental Effects Pilot Study, 2012-2014.