Correction to: Screening chemicals for estrogen receptor bioactivity using a computational model (Environmental Science and Technology (2015) 49:14 (8804-8814) DOI: 10.1021/acs.est.5b02641);Screening Chemicals for Estrogen Receptor Bioactivity Using a Computational Model

Environmental Science and Technology

Volumn 49, Issue 14, 2015, Pages 8804-8814

  Browne, Patience ^a   Judson, Richard S ^a   Casey, Warren M ^b   Kleinstreuer, Nicole C ^c   Thomas, Russell S ^a  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^c INTEGRATED LABORATORY SYSTEMS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSAYS; CHEMICALS; COMPUTATION THEORY; COMPUTATIONAL METHODS; ENVIRONMENTAL PROTECTION AGENCY; THROUGHPUT;

COMPUTATIONAL MODEL; ENDOCRINE DISRUPTOR; ENVIRONMENTAL CHEMICALS; HIGH THROUGHPUT SCREENING; HIGH-THROUGHPUT ASSAYS; SCREENING PROGRAMS; U.S. ENVIRONMENTAL PROTECTION AGENCY; UTEROTROPHIC ASSAYS;

BIOACTIVITY;

ENDOCRINE DISRUPTOR; ENVIRONMENTAL CHEMICAL; ESTROGEN RECEPTOR; 4,4' ISOPROPYLIDENEDIPHENOL; BENZHYDRYL DERIVATIVE; PHENOL DERIVATIVE;

BIOASSAY; COMPUTER SIMULATION; ENDOCRINE DISRUPTOR; ESTROGENIC COMPOUND; NUMERICAL MODEL; PERFORMANCE ASSESSMENT; PREDICTION;

ACCURACY; ARTICLE; BIOLOGICAL ACTIVITY; COMPUTATIONAL MODEL; CONCENTRATION RESPONSE; CYTOTOXICITY; ECOTOXICOLOGY; HIGH THROUGHPUT SCREENING; IN VITRO STUDY; MODEL; TRANSACTIVATION; ANIMAL; COMPUTER SIMULATION; METABOLISM; PROCEDURES; RAT; REPRODUCIBILITY; TOXICITY TESTING;

UNITED STATES;

ANIMALS; BENZHYDRYL COMPOUNDS; COMPUTER SIMULATION; ENDOCRINE DISRUPTORS; HIGH-THROUGHPUT SCREENING ASSAYS; PHENOLS; RATS; RECEPTORS, ESTROGEN; REPRODUCIBILITY OF RESULTS; TOXICITY TESTS;

EID: 84937458568     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/acs.est.7b03317     Document Type: Erratum

References (56)

1. U.S. EPA EDSP Tier1 Battery of Assays http://www.epa.gov/endo/pubs/assayvalidation/tier1battery.htm (2009).
2. U.S. EPA. EDSPOverview. http://www.epa.gov/endo/pubs/edspoverview/components.htm.
3. U.S. EPA. Final List of Chemicals for InitialTier 1 Screening. http://www.epa.gov/endo/pubs/prioritysetting/finallist.html.
4. U.S. EPA. Revised Second List of Chemicalsfor Tier 1 Screening. http://www.epa.gov/endo/pubs/prioritysetting/revlist2.htm.
5. U.S. EPA. Universe of Chemicals and General Validation Principles. In U.S. Environmental Protection Agency: http://www.epa.gov/endo/pubs/edsp-chemical-universe-and-general-validations-white-paper-11-12.pdf, 2012.
6. NRC. Toxicity Testing in the 21st Century: A Vision and a Strategy; National Academies Press: Washington, DC, 2007; Vol. 25, pp 136-138.
7. U.S. EPA. FY 2012 EPA Budget In Brief. In Office of the Chief Financial Officer, U.S. Department of Education. U.S. Environmental Protection Agency: http://nepis.epa. gov/Exe/ZyPURL.cgi?Dockey=P100A5RE.txt, 2011; p 128.
8. U.S. EPA, The U.S.Environmental Protection AgencysStrategic Plan for Evaluating the Toxicity of Chemicals. In U.S. Environmental Protection Agency: http://www.epa.gov/spc/toxicitytesting/docs/toxtest
9. Kojima, H.; Katsura, E.; Takeuchi, S.; Niiyama, K.; Kobayashi, K. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells Environ. Health Perspect. 2004, 112 (5) 524-531
10. Safe, S. H.; Pallaroni, L.; Yoon, K.; Gaido, K.; Ross, S.; Saville, B.; McDonnellc, D. Toxicology of environmental estrogens Reprod., Fertil. Dev. 2001, 13 (4) 307-315
11. Sonnenschein, C.; Soto, A. M. An updated review of environmental estrogen and androgen mimics and antagonists J. Steroid Biochem. Mol. Biol. 1998, 65 (1-6) 143-150
12. Diamanti-Kandarakis, E.; Bourguignon, J. P.; Giudice, L. C.; Hauser, R.; Prins, G. S.; Soto, A. M.; Zoeller, R. T.; Gore, A. C. Endocrine-disrupting chemicals: an Endocrine Society scientific statement Endocrine Rev. 2009, 30 (4) 293-342
13. U.S. EPA. EPAs ToxCast Program. http://www.epa.gov/ncct/toxcast/.
14. U.S. EPA, Integrated Bioactivity and ExposureRanking: AComputational Approach for the Prioritization and Screening of Chemicalsin the Endocrine Disruptor Screening Program. In U.S. Environmental Protection Agency: http://www.regulations.gov/#!documentDetail;D=EPA-HQ-OPP-2014-0614-0003, 2014.
15. Dix, D. J.; Houck, K. A.; Martin, M. T.; Richard, A. M.; Setzer, R. W.; Kavlock, R. J. The ToxCast program for prioritizing toxicity testing of environmental chemicals Toxicol. Sci. 2007, 95 (1) 5-12
16. Houck, K. A.; Kavlock, R. J. Understanding mechanisms of toxicity: Insights from drug discovery research Toxicol. Appl. Pharmacol. 2008, 227, 163-178
17. Martin, M. T.; Knudsen, T. B.; Reif, D. M.; Houck, K. A.; Judson, R. S.; Kavlock, R. J.; Dix, D. J. Predictive model of rat reprodcutive toxicity from ToxCast high throughput screening Biol. Reprod. 2011, 85 (2) 327-339
18. Rotroff, D. M.; Dix, D. J.; Houck, K. A.; Knudsen, T. B.; Martin, M. T.; McLaurin, K. W.; Reif, D. M.; Crofton, K. M.; Singh, A. V.; Xia, M. H.; Huang, R. L.; Judson, R. S. Using in vitro high throughput screening assays to identifiy potential endocrine disrupting chemicals Environ. Health Perspect. 2013, 121, 7-14
19. Reif, D. M.; Martin, M. T.; Tan, S. W.; Houck, K. A.; Judson, R. S.; Richard, A. M.; Knudsen, T. B.; Dix, D. J.; Kavlock, R. J. Endocrine profile and prioritization of environmental chemicals using ToxCast data Environ. Health Perspect. 2010, 118 (12) 1714-1720
20. Judson, R. S.; Houck, K. A.; Kavlock, R. J.; Knudsen, T. B.; Martin, M. T.; Mortensen, H. M.; Reif, D. M.; Rotroff, D. M.; Shah, I.; Richard, A. M.; Dix, D. J. In vitro screening of environmental chemicals for targeted testing prioritization: the ToxCast project Environ. Health Perspect. 2010, 118 (4) 485-492
21. Knudsen, T.; Houck, K.; Judson, R. S.; Singh, A.; Mortensen, H.; Reif, D.; Dix, D. J.; Kavlock, R. J. Biochemical activities of 320 ToxCast chemicals evaluated across 239 functional targets Toxicology 2011, 282, 1-15
22. Sipes, N. S.; Martin, M. T.; Kothiya, P.; Reif, D. M.; Judson, R. S.; Richard, A. M.; Houck, K. A.; Dix, D. J.; Kavlock, R. J.; Knudsen, T. B. Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays Chem. Res. Toxicol. 2013, 26 (6) 878-895
23. Martin, M. T.; Dix, D. J.; Judson, R. S.; Kavlock, R. J.; Reif, D. M.; Richard, A. M.; Rotroff, D. M.; Romanov, S.; Medvedev, A.; Poltoratskaya, N.; Gambarian, M.; Moeser, M.; Makarov, S. S.; Houck, K. A. Impact of environmental chemicals on key transcription regulators and correlation to toxicity end points within EPAs ToxCast program Chem. Res. Toxicol. 2010, 23 (3) 578-590
24. Huang, R.; Sakamuru, S.; Martin, M. T.; Reif, D. M.; Judson, R. S.; Houck, K. A.; Casey, W.; Hsieh, J.-H.; Shockley, K. R.; Ceger, P.; Fostel, J.; Witt, K. L.; Tong, W.; Rotroff, D. M.; Zhao, T.; Shinn, P.; Simeonov, A.; Dix, D. J.; Austin, C. P.; Kavlock, R. J.; Tice, R. R.; Xia, M., Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway. Sci. Rep. 2014, 4, (5664).
25. Rotroff, D. M.; Dix, D. J.; Houck, K. A.; Kavlock, R. J.; Knudsen, T. B.; Martin, M. T.; Reif, D. M.; Richard, A. M.; Sipes, N. S.; Abassi, Y. A.; Jin, C.; Stampfl, M.; Judson, R. S. Real-time growth kinetics measuring hormone mimicry for ToxCast chemicals in T-47D human ductal carcinoma cells Chem. Res. Toxicol. 2013, 26 (7) 1097-107
26. U.S. EPA. U.S. EPA ToxCast Program Data. http://epa.gov/ncct/toxcast/data.html.
27. Filer, D. The ToxCast Analysis Pipeline: An R Package for Processing And Modeling Chemical Screening Data. In U.S. Environmental Protection Agency: http://www.epa.gov/ncct/toxcast/files/MySQL%20Database/Pipeline-Overview.pdf, 2014.
28. OECD. Test No.455: Performance-Based Test Guideline forStably Transfected Transactivation In Vitro Assays to Detect EstrogenReceptor Agonists. In Organisation for Economic Co-operation and Development: http://www.oecd-ilibrary.org/environment/test-no-455-performance-based-test-guideline-for-stably-transfected-transactivation-in-vitro-assays-to-detect-estrogen-receptor-agonists-9789264185388-en, 2012.
29. ICCVAM. The LUMI-CELL®ER (BG1Luc ER TA) Test Method:An In Vitro Assay for Identifying Human Estrogen Receptor Agonistand Antagonist Activity of Chemicals; NEIHS: http://ntp.niehs.nih.gov/pubhealth/evalatm/iccvam/test-method-evaluations/endocrine-disruptors/bg1luc/tmer/index.html, 2011.
30. OECD. OECD TestNo. 457: BG1Luc Estrogen Receptor TransactivationTest Method for Identifying Estrogen Receptor Agonists and Antagonists.In http://www.oecd-ilibrary.org/environment/test-no-457-bg1luc-estrogen-receptor-transactivation-test-method-for-identifying-estrogen-receptor-agonists-and-antagonists-9789264185395-en, 2012; Vol. 2012.
31. OECD. Test No. 440: Uterotrophic Bioassay in Rodents A short-termscreening test for oestrogenic properties In Organisation for Economic Co-operation and Development: http://www.oecd-ilibrary.org/environment/test-no-440-uterotrophic-bioassay-in-rodents-9789264067417-en, 2007.
32. U.S. EPA. EndocrineDisruptor Screening Program Test GuidelinesOPPTS 890. 1600: Uterotrophic Assay. In U.S. Environmental Protection Agency: http://www.regulations.gov/#!documentDetail;D=EPA-HQ-OPPT-2009-0576-0012, 2009.
33. U.S. EPA. EPAACToR. http://actor.epa. gov/actor.
34. U.S. FDA U.S. Food and Drug AdministrationsEndocrineDisruptor Knowledge Base. http://www.fda.gov/ScienceResearch/BioinformaticsTools/EndocrineDisruptorKnowledgebase/default.htm.
35. U.S. EPA. Endocrine Disruptor ScreeningProgram Test GuidelinesOPPTS 890. 1250: Rat Uterine Cytosol Estrogen Receptor Binding Assay.In U.S. Environmental Protection Agency: http://www.regulations.gov/#!documentDetail;D=EPA-HQ-OPPT-2009-0576-0005, 2009.
36. U.S. EPA. EndocrineDisruptor Screening Program Test GuidelinesOPPTS 890. 1300: Estrogen Receptor Transactivation Assay. In U.S. Environmental Protection Agency: http://www.regulations.gov/#!documentDetail;D=EPA-HQ-OPPT-2009-0576-0006, 2009.
37. Stehman, S. V. Selecting and interpreting measures of thematic classification accuracy Remote Sens. Environ. 1997, 62 (1) 13
38. Zava, D. T. Estrogenic and antiproliferative properties of genestine and other flavonoids in human breast cancer cells in vitro Nutr. Cancer 1997, 27 (1) 31-40
39. U.S. EPA. EDSP21 Dashboard. http://actor.epa.gov/edsp21/.
40. Becker, R. A.; Friedman, K. P.; Simon, T. W.; Marty, M. S.; Patlewicz, G.; Rowlands, J. C. An exposure:activity profiling method for interpreting high-throughput screening data for estrogenic activity-Proof of concept Regul. Toxicol. Pharmacol. 2015, 71 (3) 398-408
41. Patlewicz, G.; Ball, N.; Boogaard, P. J.; Becker, R. A.; Hubesch, B. Building scientific confidence in the development and evaluation of read-across Regul. Toxicol. Pharmacol. 2015, 72 (1) 117-133
42. Patlewicz, G.; Simon, T. W.; Rowlands, J. C.; Budinsky, R. A.; Becker, R. A. Proposing a scientific confidence framework to help support the application of adverse outcome pathways for regulatory purposes Regul. Toxicol. Pharmacol. 2015, 71 (3) 463-477
43. Judson, R.; Kavlock, R.; Martin, M.; Reif, D.; Houck, K.; Knudsen, T.; Richard, A.; Tice, R. R.; Whelan, M.; Xia, M.; Huang, R.; Austin, C.; Daston, G.; Hartung, T.; Fowle, J. R., 3rd; Wooge, W.; Tong, W.; Dix, D. Perspectives on validation of high-throughput assays supporting 21st century toxicity testing Altex 2013, 30 (1) 51-56
44. Sauer, J. M.; Hartung, T.; Leist, M.; Knudsen, T. B.; Hoeng, J.; Hayes, A. W. Systems Toxicology: The Future of Risk Assessment. Int. J. Toxicol. 2015, Epub ahead of print
45. Tralau, T.; Oelgeschlager, M.; Gurtler, R.; Heinemeyer, G.; Herzler, M.; Hofer, T.; Itter, H.; Kuhl, T.; Lange, N.; Lorenz, N.; Muller-Graf, C.; Pabel, U.; Pirow, R.; Ritz, V.; Schafft, H.; Schneider, H.; Schulz, T.; Schumacher, D.; Zellmer, S.; Fleur-Bol, G.; Greiner, M.; Lahrssen-Wiederholt, M.; Lampen, A.; Luch, A.; Schonfelder, G.; Solecki, R.; Wittkowski, R.; Hensel, A. Regulatory toxicology in the twenty-first century: challenges, perspectives and possible solutions Arch. Toxicol. 2015, 89 (6) 823-850
46. OECD. Guidance Document on the Validationof (Quantitative)Structure-Activity Relationships [(Q)SAR] Models. In Organisation for Economic Co-operation and Development: http://www.oecd. org/officialdocuments/publicdisplaydocumentpdf/?doclanguage=en&cote=env/jm/mono(2007)2, 2007; p 154.
47. OECD. Guidance Document on Developing and Assessing AdverseOutcome Pathways: Series on Testing and Assessment No. 184. In Organisation for Economic Co-operation and Development: http://www.oecd. org/officialdocuments/publicdisplaydocumentpdf/?cote=env/jm/mono(2013)6&doclanguage=en, 2013.
48. U.S. EPA. IntegratedSummary Report for Validation of anEstrogen Receptor Binding Assay Using Rat Uterine Cytosol as Sourceof Receptor as a Potential Screen in the Endocrine Disruptor ScreeningProgram Tier 1 Battery. In U.S. Environmental Protection Agency: http://www.epa.gov/endo/pubs/assayvalidation/status.htm, 2009.
49. OECD. Series onTesting and Assessment. Number 67. Reportof the Validation of the Uterotrophic Bioassay: Additional Data Supportingthe TEst Guideline on the Uterotrophic Bioassay in Rodents.. In http://epa.gov/endo/pubs/uterotrophic-OECD-validation-report.pdf, 2007.
50. Ashby, J.; Odum, J. Gene expression changes in the immature rat uterus: effects of uterotrophic and sub-uterotrophic doses of bisphenol A Toxicol. Sci. 2004, 82 (2) 458-467
51. Christian, M. S.; Hoberman, A. M.; Bachmann, S.; Hellwig, J. Variability in the uterotrophic response assay (an in vivo estrogenic response assay) in untreated control and positive control (DES-DP, 2.5 microG/kg, bid) Wistar and Sprague-Dawley rats Drug Chem. Toxicol. 1998, 21 (Sup. 1) 50-101
52. Akahori, Y.; Nakai, M.; Yamasaki, K.; Takatsuki, M.; Shimohigashi, Y.; Ohtaki, M. Relationship between the results of 6 receptor binding assay to human estrogen receptor α and in vivo uterotrophic assay: comparative study with 65 selected chemicals Toxicol. In Vitro 2008, 22, 225-332
53. Laws, S. C.; Carey, S. A.; Ferrell, J. M.; Bodman, G. J.; Cooper, R. L. Estrogenic activity of octylphenol, nonylphenol, bisphenol A and methoxychlor in rats Toxicol. Sci.: Off. J. Soc. Toxicol. 2000, 54 (1) 154-67
54. U.S. EPA. EndocrineDisruptor Screening Program Test Guidelines:OPPTS 890.1450. Pubertal Development and Thyroid Function in IntactJuvenile/Peripubertal Female Rats. In U.S. Environmental Protection Agency: http://www.regulations.gov/#!documentDetail;D=EPA-HQ-OPPT-2009-0576-0009, 2009.
55. U.S. EPA. SAPMinutes No: 2013-05-Weight-of-Evidence:Evaluating Results of EDSP Tier 1 Screening. In U.S. Environmental Protection Agency: http://www.epa.gov/scipoly/sap/meetings/2013/july/073013minutes.pdf, 2013; p 65.
56. U.S. EPA. Final EDSP (Endocrine Disruptor Screening Program)White Paper on Tier I Assay and Battery Performance for May 21-23,2013 FIFRA SAP Meeting. In U.S. Environmental Protection Agency: http://www.regulations.gov/contentStreamer?objectId=09000064812a3e5d&disposition=attachment&contentType=pdf, 2013; p 160.