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Adverse Outcome Pathway Networks II: Network Analytics
The data set provides a set of txt files and cytoscape files that were used to construct the example AOP networks included in the paper. Additionally, a supplementary table file provides all the network statistics discussed in the manuscript (e.g., node degree calculations, betweenness centrality, eccentricity, etc.). This dataset is associated with the following publication: Villeneuve, D., M. Angrish, M. Fortin, I. Katsiadaki, M. Leonard, L. Margiotta-Casaluci, S. Munn, J. O'Brien, N. Pollesch, C. Smith, X. Zhang, and D. Knapen. Adverse outcome pathway networks II: Network analytics. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 37(6): 1734-1748, (2018).
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Extracting and benchmarking emerging adverse outcome pathway knowledge
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A collection of R scripts useful for extracting and analyzing adverse outcome pathway network data from the adverse outcome pathway wiki (aopwiki.org). This dataset is associated with the following publication: Pollesch, N., D. Villeneuve, and J. O'Brien. Extracting and benchmarking emerging adverse outcome pathway knowledge. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 168(2): 349-364, (2019).
Representing the Process of Inflammation as Key Events in Adverse Outcome Pathways
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A set of three proposed "hub" key events were used to link together a series of example adverse outcome pathway (AOP) descriptions that were previously not linked in an AOP network. While there are no data associated with this product, the relevant adverse outcome pathway descriptions can be found at aopwiki.org. This dataset is not publicly accessible because: This product is a workshop report. There are no data associated with this product. It can be accessed through the following means: AOP descriptions that illustrate concepts discussed in this paper can be accessed via aopwiki.org. Format: There are no data associated with this product. This dataset is associated with the following publication: Villeneuve, D., B. Landesmann, P. Allavena, N. Ashley, A. Bal-Price, E. Corsini, S. Halappanavar, T. Hussell, D. Laskin, T. Lawrence, D. Nikolic-Paterson, M. Pallardy, A. Paini, R. Pieters, R. Roth, and F. Tschudi-Monnet. Representing the process of inflammation as key events in adverse outcome pathways. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 163(2): 346-352, (2018).
Toward an AOP Network-based tiered testing strategy for the assessment of thyroid hormone disruption
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No novel data were reported in association with this product. This dataset is not publicly accessible because: The associated publication is a review/forum-type article. No novel scientific data are reported. All data cited have been previously published elsewhere. It can be accessed through the following means: Not applicable. Format: This article is a review/forum-type article. No novel scientific data are included. This dataset is associated with the following publication: Knapen, D., E. Stinckens, J. Cavallin, G. Ankley, H. Holbech, D. Villeneuve, and L. Vergauwen. Toward an AOP network-based tiered testing strategy for the assessment of thyroid hormone disruption. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(16): 8491-8499, (2020).
Differentiating Pathway-Specific From Nonspecific Effects in High-Throughput Toxicity Data: A Foundation for Prioritizing Adverse Outcome Pathway Development
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Previous work identified a ‘cytotoxic burst’ (CTB) phenomenon wherein large numbers of the ToxCast assays begin to respond at or near test chemical concentrations that elicit cytotoxicity, and a statistical approach to defining the bounds of the CTB was developed. To focus AOP development on the molecular targets corresponding to ToxCast assays indicating pathway-specific effects, we conducted a meta-analysis to identify which assays most frequently respond at concentrations below the CTB. A preliminary list of potentially important, target-specific assays was determined by ranking assays by the fraction of chemical hits below the CTB compared to the number of chemicals tested. Additional priority assays were identified using a diagnostic-odds-ratio approach which gives greater ranking to assays with high specificity but low responsivity. Combined, the two prioritization methods identified several novel targets (e.g., peripheral benzodiazepine and progesterone receptors) to prioritize for AOP development, and affirmed the importance of a number of existing AOPs aligned with ToxCast targets (e.g., thyroperoxidase, estrogen receptor, aromatase). This dataset is associated with the following publication: Fay, K., J. Swintek, D. Villeneuve, S. Edwards, M. Nelms, B. Blackwell, and G. Ankley. Differentiating pathway-specific from non-specific effects in high-throughput toxicity data: A foundation for prioritizing adverse outcome pathway development. TOXICOLOGICAL SCIENCES. Society of Toxicology, RESTON, VA, 163(2): 500-515, (2018).
Adverse outcome pathway (AOP) development and weight of evidence evaluation as illustrated by ecological case studies using online tools such as ECOTOX and SeqAPASS
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The majority of this dataset includes the query output from online databases ECOTOX and SeqAPASS used to support the ecological AOP case studies described within the manuscript. The final worksheet includes the raw data used to generate concentration vs response curves for four putative chemical initiators (Supplemental Figure S4). This dataset is associated with the following publication: Fay, K., D. Villeneuve, C. LaLone, Y. Song, K.E. Tollefsen, and G. Ankley. Practical approaches to adverse outcome pathway (AOP) development as illustrated by ecological case studies. SOCIETY OF ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY JOURNAL. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 36(6): 1429–1449, (2017).
Adverse Outcome Pathway Network-Based Assessment of the Interactive Effects of an Androgen Receptor Agonist and an Aromatase Inhibitor on Fish Endocrine Function
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Adverse outcome pathway (AOP) networks potentially provide a basis for predictive approaches to assess the toxicity of chemical mixtures. This study evaluated the utility of a simple AOP network to predict the interactive effects of a binary chemical mixture comprised of an inhibitor of the aromatase enzyme (fadrozole, a human pharmaceutical) and an agonist of the androgen receptor (trenbolone, a veterinary drug). Overall, prediction of interactive effects of the two chemicals based on the AOP network did not match actual observed effects. Rather, the two compounds seemed to interact in an independent manner in terms of their effects on the hypothalamic-pituitary-gonadal axis in the fish. This dataset is associated with the following publication: Ankley, G., B. Blackwell, J. Cavallin, J. Doering, D.J. Feifarek, K. Jensen, M. Kahl, C. Lalone, S. Poole, E. Randolph, T. Saari, and D. Villeneuve. Adverse outcome pathway network-based assessment of the interactive effects of an androgen receptor agonist and an aromatase inhibitor on fish endocrine function. AQUATIC TOXICOLOGY. Elsevier Science Ltd, New York, NY, USA, 39(4): 913-922, (2020).
Advancing the Adverse Outcome Pathway Concept – An International ‘Horizon Scanning’ Approach
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Our ability to conduct whole organism toxicity tests to understand chemical safety has been outpaced by our ability to synthesize new chemicals for a wide variety of commercial applications. Therefore, to increase efficiencies in chemical risk assessment, scientists and risk assessors are turning to mechanistic-based studies, making greater use of in vitro and in silico methods, to evaluate potential environmental and human health hazards. A framework that has gained traction for capturing available knowledge describing the linkage between mechanistic data and the apical toxicity endpoints, required for regulatory assessments, is the adverse outcome pathway (AOP). A number of international activities have focused on AOP development and plausible applications to regulatory decision-making. These interactions have prompted dialog between research scientists and regulatory communities to consider how best to use the AOP framework in risk assessment. While expert-facilitated discussions have been instrumental in moving the science of AOPs forward, it was recognized that a survey of the broader scientific community would aid in identifying current limitations while guiding future initiatives for the AOP framework. To that end, a global ‘Horizon Scanning’ exercise was conducted to solicit questions concerning the challenges or limitations that must be addressed to realize the full potential of the AOP framework in research and regulatory decision making. The majority of questions received fell into several broad topical areas including the concepts of AOP networks and quantitative AOPs, collaboration on and communication of AOP knowledge, AOP discovery and development, chemical and cross-species extrapolation, exposure considerations, and AOP applications. An expert ranking exercise was then conducted to identify the most important questions for each category. These questions were used to develop four broad themes to inform and guide future AOP research and regulatory initiatives. In addition, frequently asked questions (FAQs) were identified and addressed by experts in the field. Answers to FAQs will aid in framing further discussions about common misperceptions about AOPs and allow for clarification of AOP topics. The need for clarification occurred with surprising frequency, indicating that improvements are needed in communicating the AOP framework among the scientific and regulatory communities. Overall, the ‘Horizon Scanning’ effort brought together the global scientific community to guide the direction of future initiatives and identify key questions surrounding the AOP framework. The views expressed in this manuscript are those of the authors and may not reflect U.S. EPA policy. This dataset is not publicly accessible because: It is available online and was collected through the Society of Environmental Toxicology and Chemistry in support of a Pellston Workshop. It can be accessed through the following means: All materials associated with this paper are found at the provided URL as the main document or as the supplemental files. Format: http://onlinelibrary.wiley.com/doi/10.1002/etc.3805/full. This dataset is associated with the following publication: LaLone, C., G. Ankley, S. Belanger, M. Embry, G. Hodges, D. Knapen, S. Munn, E. Perkins, M. Rudd, D. Villeneuve, M. Whelan, C. Willett, X. Zhang, and M. Hecker. Advancing the adverse outcome pathway framework - An international horizon scanning approach. SOCIETY OF ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY JOURNAL. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 36(6): 1411-1421, (2017).
Distribution of data in ECOTOX across species, chemicals, and effects (June 2021 update)
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The ECOTOXicology Knowledgebase (ECOTOX) has been in development since the early 1980s and is maintained by the U.S. EPA Great Lakes Toxicology and Ecology Division. ECOTOX includes curated data from toxicity tests from aquatic and terrestrial species, with results available on the web-based application: www.epa.gov/ecotox. This paper includes overview summaries of the entirety of the data currently included in ECOTOX (as of September 2020 update), with the source data for these summaries included in this Excel file. This dataset is associated with the following publication: Olker, J., C. Elonen, A. Pilli, A. Anderson, B. Kinzinger, S. Erickson, M. Skopinski, A. Pomplun, C. LaLone, C. Russom, and D. Hoff. The ECOTOXicology Knowledgebase: A Curated Database of Ecologically Relevant Toxicity Tests to Support Environmental Research and Risk Assessment. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 41(6): 1520-1539, (2022).
Maumee River 2012 and 2016
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The Maumee River and associated tributaries are an example of a system influenced by a mosaic of contaminant inputs from point and nonpoint sources along a gradient of land uses. To assess the potential effects of contaminants on aquatic biota in a system this complex requires a combination of targeted and nontargeted analytical and biological monitoring techniques to provide data that can be assembled and interpreted in an integrated manner. The aim of the current paper was to provide a practical demonstration of this type of approach using a variety of state-of-the-science pathway-based tools. Studies conducted in 2012 and 2106 showed that contaminants in the upper part of the Maumee River reflect agricultural practices, while downstream, the suite of chemicals present includes those from agriculture in conjunction with contaminants more indicative of a general urban setting, influenced in some areas by WWTP inputs. Biological responses using in vitro assays with surface water samples, and measures of biological responses in caged fish deployed a various sites in the Maumee River were used to assess the potential for perturbation of specific biological pathways. Overall there was little evidence for contaminant effects on endocrine pathways involved is reproduction or development. However, multiple lines of evidence suggested the presence of contaminants that could inhibit or induce cytochrome P450-based enzymes thereby influencing biological pathways/processes associated with these ubiquitous proteins. This dataset is associated with the following publication: Ankley, G., J. Berninger, B. Blackwell, J. Cavallin, T. Collette, D. Ekman, K. Fay, D. Feifarek, K. Jensen, M. Kahl, J. Mosley, S. Poole, E. Randolph, D. Rearick, A. Schroeder, J. Swintek, and D. Villeneuve. Pathway-based approaches for assessing biological hazards of complex mixtures of contaminants: A case study in the Maumee River. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 40(4): 1098–1122, (2021).
환경부 국립환경과학원 수질오염사고
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수질오염사고대응시스템 모의조건 데이터(발생일시, 수계명, 지점 좌표, 유출량, 단위, 물질명, 오염물질코드 등)