Science Inventory

Edelman-Munoz, A., C. Stevens, L. Shields, I. Thillainadarajah, B. Meyer, E. Weber, R. Kolanczyk, AND A. Williams. The US-EPA Chemical Transformations Database (CHET): A novel web application for storage, presentation, and comparative analysis of chemical transformations. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24385642

Edelman-Munoz, A., C. Stevens, L. Shields, I. Thillainadarajah, B. Meyer, E. Weber, R. Kolanczyk, AND A. Williams. The US-EPA Chemical Transformations Database: A novel web application for storage, presentation, and comparative analysis of chemical transformations. ACS, San Francisco, CA, August 13 - 17, 2023. https://doi.org/10.23645/epacomptox.23957946

Williams, A., L. Gaines, C. Grulke, C. Lowe, G. Sinclair, V. Samano, I. Thillainadarajah, B. Meyer, G. Patlewicz, AND A. Richard. Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research. Frontiers in Environmental Science. Frontiers, Lausanne, Switzerland, 10:850019, (2022). https://doi.org/10.3389/fenvs.2022.850019

Williams, A., L. Gaines, C. Lowe, I. Thillainadarajah, B. Meyer, G. Patlewicz, AND A. Richard. Assembly and curation of a list of per- and polyfluoroalkyl substances (PFAS) to support environmental science research. Society of Toxicology, San Diego, CA, March 27 - 31, 2022. https://doi.org/10.23645/epacomptox.19358174

Williams, A., G. Sinclair, I. Thillainadarajah, B. Meyer, V. Samano, AND A. Richard. Cheminformatics approaches supporting UVCB chemical representation in the US-EPA CompTox Chemicals Dashboard. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20497017

Williams, A., L. Gaines, G. Sinclair, C. Lowe, I. Thillainadarajah, B. Meyer, G. Patlewicz, AND A. Richard. Comparison of list of per- and polyfluoroalkyl substances (PFAS) based on different definitions. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20518380

Sinclair, G., I. Thillainadarajah, B. Meyer, V. Samano, S. Sivasupramaniam, L. Adams, A. Richard, AND A. Williams. Structured extraction of comprehensive chemical data from Wikipedia. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20496756

Sinclair, G., I. Thillainadarajah, B. Meyer, V. Samano, S. Sivasupramaniam, L. Adams, E. Willighagen, A. Richard, M. Walker, AND A. Williams. Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data. Journal of Chemical Information and Modeling. American Chemical Society, Washington, DC, 62(20):4888-4905, (2022). https://doi.org/10.1021/acs.jcim.2c00886

Williams, A., L. Gaines, C. Grulke, C. Lowe, I. Thillainadarajah, B. Meyer, G. Patlewicz, AND A. Richard. Assembly and curation of a list of per- and polyfluoroalkyl substances (PFAS) to support environmental science research. Frontiers Submission, N/A, N/A, November 30, 2021.

Richard, A., R. Huang, S. Waidyanatha, P. Shinn, B. Collins, I. Thillainadarajah, Chris Grulke, A. Williams, R. Lougee, R. Judson, K. Houck, Mahmoud A. Shobair, C. Yang, J. Rathman, A. Yasgar, S. Fitzpatrick, A. Simeonov, R. Thomas, K. Crofton, R. Paules, J. Bucher, C. Austin, R. Kavlock, AND R. Tice. The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 34(2):189-216, (2021). https://doi.org/10.1021/acs.chemrestox.0c00264

Grulke, C., A. Williams, I. Thillainadarajah, AND A. Richard. EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 12:100096, (2019). https://doi.org/10.1016/j.comtox.2019.100096

Grulke, C., I. Thillainadarajah, P. Brown, A. Williams, AND A. Richard. Mapping of chemical identifiers to DSSTox to enable data integration in the US-EPA CompTox Chemicals Dashboard. Presented at American Chemical Society Spring Meeting, Orlando, FL, March 31 - April 04, 2019. https://doi.org/10.23645/epacomptox.8089133

Grulke, Chris, I. Thillainadarajah, A. Richard, AND A. Williams. DSSTox: The Open Environmental Chemistry Data underlying the CompTox Chemical Dashboard (OpenTox USA). Presented at OpenTox USA 2017, Durham, NC, July 12 - 13, 2017.

Grulke, C., I. Thillainadarajah, R. Sayre, K. Mansouri, A. Williams, AND A. Richard. Using semi-automated curation workflows to collect, organize, and curate the data and models necessary to support the EPA CompTox chemical dashboard (ACS Spring meeting). Presented at ACS Spring meeting, San Fransisco, CA, April 01 - 06, 2017. https://doi.org/10.23645/epacomptox.5057974

Richard, A., G. Patlewicz, J. Fitzpatrick, Chris Grulke, I. Thillainadarajah, AND A. Williams. Cheminformatics and Data Mining Approaches for Exploring the Alternatives Testing Landscsape: Case Studies in ToxCast and Skin Sensitization (BOSC CSS). Presented at BOSC CSS Meeting, RTP, NC, November 16 - 18, 2016. https://doi.org/10.23645/epacomptox.5179060

Richard, A., Chris Grulke, I. Thillainadarajah, A. Williams, D. Lyons, AND J. Edwards. Expansion of DSSTox: Leveraging public data to create a semantic cheminformatics resource with quality annotations for support of U.S. EPA applications. (American Chemical Society). Presented at ACS Spring Meeting, San Diego, CA, March 13 - 17, 2016. https://doi.org/10.23645/epacomptox.5058472

Richard, A., R. Judson, K. Houck, C. Grulke, P. Volarath, I. Thillainadarajah, C. Yang, J. Rathman, M. Martin, J. Wambaugh, T. Knudsen, K. Mansouri, J. Kancherla, G. Tier, A. Williams, S. Little, K. Crofton, AND R. Thomas. The ToxCast Chemical Landscape - Paving the Road to 21st Century Toxicology. CHEMICAL RESEARCH IN TOXICOLOGY. American Chemical Society, Washington, DC, 29(8):1225-1251, (2016).

Richard, A., Chris Grulke, I. Thillainadarajah, K. Mansouri, J. Kancherla, R. Judson, AND A. Williams. EPAs DSSTox Chemical Database: A Resource for the Non-Targeted Testing Community (EPA NTA workshop). Presented at Advancing Non-targeted Analyses of Xenobiotics in Environmental and Biological Media, RTP, NC, August 18 - 19, 2015. https://doi.org/10.23645/epacomptox.5077765

Narotsky, M., G. Klinefelter, J. Goldman, D. Best, Anthony McDonald, L. Strader, J. Suarez, A. Murr, I. Thillainadarajah, E. Sidney Hunter, S. Richardson, T. Speth, R. Miltner, J. Pressman, L. Teuschler, G. Rice, V. C. Moser, R. Luebke, AND Jane Ellen Simmons. Comprehensive Assessment of a Chlorinated Drinking Water Concentrate in a Rat Multigenerational Reproductive Toxicity Study##. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 47(18):10653-59, (2013).

Narotsky, M., G. Klinefelter, J. Goldman, D. Best, T. Mcdonald, L. Strader, J. Suarez, A. Murr, I. Thillainadarajah, S. Hunter, S. Richardson, T. Speth, R. Miltner, J. Pressman, L. Teuschler, G. Rice, V. C. Moser, R. Luebke, AND J. Simmons. Comprehensive assessment of a chlorinated drinking water concentrate in a rat multigenerational reproductive toxicity study. ENVIRONMENTAL SCIENCE AND TECHNOLOGY. John Wiley & Sons, Ltd., Indianapolis, IN, 47(18):10653-1659, (2013).

GOETZ, A., J. C. ROCKETT, H. REN, I. THILLAINADARAJAH, AND D. J. DIX. Inhibition of Rat and Human Steroidogenesis by Triazole Antifungals. Systems Biology in Reproductive Medicine. Informa Healthcare USA, New York, NY, 55(5-6):214-26, (2009).

ROCKETT, J. C., M. G. NAROTSKY, K. THOMPSON, I. THILLAINADARAJAH, C. BLYSTONE, A. GOETZ, H. REN, D. S. BEST, R. MURRELL, H. P. NICHOLS, J. E. SCHMID, D. C. WOLF, AND D. J. DIX. EFFECT OF CONAZOLE FUNGICIDES ON REPRODUCTIVE DEVELOPMENT IN THE FEMALE RAT. REPRODUCTIVE TOXICOLOGY. Elsevier Science Ltd, New York, NY, 22(4):647-658, (2006).

Rockett, J C., M G. Narotsky, I. THILLAINADARAJAH, C. BLYSTONE, A. GOETZ, H. REN, D. S. BEST, R. MURRELL, H. P. NICHOLS, J. E. SCHMID, K. E. THOMPSON, AND D. J. DIX. REPRODUCTIVE TOXICITY OF EXPOSURE TO CONAZOLE FUNGICIDES IN THE FEMALE RAT. Presented at Society of Toxicology, New Orleans, LA, March 6-10, 2005.