Science Inventory

<< Previous

Next >>

Pierro, J., Nancy C. Baker, A. Richard, N. Kleinstreuer, AND T. Knudsen. A Data-driven Model Analysis of Retinoid Signaling in Skeletal Dysmorphogenesis and Potential Adverse Outcome Pathways. Society for Birth Defects Research and Prevention 61st Annual Meeting, Virtual, NC, June 24 - July 01, 2021. https://doi.org/10.23645/epacomptox.14893212

Wang, Z., A. Buser, I. Cousins, S. Demattio, W. Drost, O. Johansson, K. Ohno, G. Patlewicz, A. Richard, G. Walker, G. White, AND E. Leinala. A New OECD Definition for Per- and Polyfluoroalkyl Substances. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, 55(23):15575-15578, (2021). https://doi.org/10.1021/acs.est.1c06896

Willighagen, E., A. Williams, Chris Grulke, A. Richard, AND A. Jacobs. Advancing the accuracy of open chemical information with CAS Common Chemistry. American Chemical Society (ACS) Spring 2021 National Meeting, Virtual, NC, April 05 - 30, 2021. https://doi.org/10.23645/epacomptox.16766545

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.

Yang, C., M. Cronin, K. Arvidson, B. Bienfait, S. Enoch, B. Heldreth, B. Hobocienski, K. Muldoon-Jacobs, Y. Lan, J. Madden, T. Magdziarz, J. Marusczyk, A. Mostrag, M. Nelms, D. Neagu, K. Przybylak, J. Rathman, J. Park, A. Richarz, A. Richard, J. Ribiero, O. Sacher, C. Schwab, V. Vitcheval, P. Volarath, AND A. Worth. COSMOS next generation – A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals. Computational Toxicology. Elsevier B.V., Amsterdam, Netherlands, 19:100175, (2021). https://doi.org/10.1016/j.comtox.2021.100175

Shobair, Mahmoud A., Chris Grulke, D. Chang, R. Lougee, K. Paul-Friedman, AND A. Richard. Combining in silico structure-based methods and enrichment analysis to increase confidence in HTS results: Application to Tox21 TRHR assay. Society of Toxicology 2021 Virtual Annual Meeting, RTP, NC, March 12 - 26, 2021. https://doi.org/10.23645/epacomptox.14474052

Williams, A., C. Lowe, Chris Grulke, G. Patlewicz, AND A. Richard. Developing a list of per- and polyfluoroalkyl (PFAS) chemicals from public domain databases (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15075243

Wang, J., A. Richard, A. Murr, A. Buckalew, R. Lougee, Mahmoud A. Shobair, D. Hallinger, S. Laws, AND T. Stoker. Expanded High-Throughput Screening and Chemotype-Enrichment Analysis of the Phase II:e1k ToxCast Library for Human Sodium-Iodide Symporter (NIS) Inhibition. Archives of Toxicology. Springer, New York, NY, 95(5):1723-1737, (2021). https://doi.org/10.1007/s00204-021-03006-2

Sobus, J., E. Ulrich, J. Grossman, A. Chao, S. Newton, A. Williams, A. Richard, Chris Grulke, A. McEachran, R. Singh, H. Al-Ghoul, AND L. Groff. Findings from EPA's Non-Targeted Analysis Collaborative Trial (ENTACT)(CIDC). NIH Compound Identification Development Cores (CIDC) Webinar, Virtual, NC, May 10, 2021. https://doi.org/10.23645/epacomptox.17411225

Shobair, Mahmoud A., D. Chang, R. Lougee, K. Paul-Friedman, Chris Grulke, J. Zhao, R. Huang, M. Xia, AND A. Richard. In silico and cheminformatics enrichment analysis to increase confidence in in vitro high-throughput screening (HTS) results: Application to Tox21 thyrotropin-releasing hormone receptor (TRHR) assay. QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15101949

Richard, A., R. Lougee, Chris Grulke, J. Wang, Mahmoud A. Shobair, G. Patlewicz, AND C. Yang. Inverting the SAR paradigm: Applications of a Chemotype-Enrichment Approach within EPA’s Computational Toxicology Programs (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences June 2021, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15106026

Richard, A., R. Lougee, G. Patlewicz, Chris Grulke, A. Williams, C. Yang, J. Rathman, AND T. Magdziarz. New CSRML-based features to categorize and fingerprint PFAS structure lists for cheminformatics analysis and read-across. 19th International Workshop on (Quantitative) Structure-Activity Relationships in Environmental and Health Sciences (QSAR2021), Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15105216

Richard, A., R. Lougee, G. Patlewicz, Chris Grulke, A. Williams, C. Yang, J. Rathman, AND T. Magdziarz. New public CSRML-based structure-fingerprint method for profiling and categorizing PFAS structures for modeling and read-across. Society of Toxicology 2021 Virtual Annual meeting, Virtual, NC, March 12 - 26, 2021. https://doi.org/10.23645/epacomptox.14470782

Mansouri, K., Chris Grulke, R. Judson, A. Richard, A. Williams, AND N. Kleinstreuer. Open-source QSAR-ready chemical structure standardization workflow. QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15070041

Lowe, C., K. Isaacs, A. McEachran, Chris Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-targeted Analysis. American Chemical Society (ACS) Fall 2021 National Meeting, Virtual, NC, August 22 - 26, 2021. https://doi.org/10.23645/epacomptox.15411699

Lowe, C., K. Isaacs, A. McEachran, Chris Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting Compound Amenability with Liquid Chromatography Mass Spectrometry to Improve Non-targeted Analysis (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15078534

Lowe, C., K. Isaacs, A. McEachran, C. Grulke, J. Sobus, E. Ulrich, A. Richard, A. Chao, J. Wambaugh, AND A. Williams. Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis. Analytical and Bioanalytical Chemistry. Springer, New York, NY, 413(30):7495-7508, (2021). https://doi.org/10.1007/s00216-021-03713-w

Grulke, Chris, A. Williams, B. Meyer, AND A. Richard. Representation and Enumeration of UVCB Substances to Enable QSAR Predictions for Substances with Structural Uncertainty (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15101832

Fay, K., K. Mansouri, J. Prindiville, G. Patlewicz, M. Lewis, A. Richard, M. Shobair, E. Saluck, AND D. Chang. Revisiting and Updating Chemical Categorizations using chemical fingerprint and High-Throughput Screening Data (QSAR 2021). QSAR 2021 International Workshop on QSAR in Environmental and Health Sciences, Virtual, NC, June 07 - 10, 2021. https://doi.org/10.23645/epacomptox.15899004

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

Richard, A. The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology (CompTox CofP). EPA CCTE Computational Toxicology Communities of Practice webinar, Virtual, NC, January 28, 2021. https://doi.org/10.23645/epacomptox.17118563

Richard, A. What’s in a NAM? Why Chemistry, of Course! EPA ORD Center for Public Health & Environmental Assessment (CPHEA) Systematic Review Community of Practice (SR-CoP), Virtual, North Carolina, April 13, 2021. https://doi.org/10.23645/epacomptox.14547402

Nyffeler, J., C. Willis, R. Lougee, A. Richard, K. Friedman, AND J. Harrill. Bioactivity screening of environmental chemicals using imaging-based high-throughput phenotypic profiling. TOXICOLOGY AND APPLIED PHARMACOLOGY. Academic Press Incorporated, Orlando, FL, 389:114876, (2020). https://doi.org/10.1016/j.taap.2019.114876

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, 128(2):27002, (2020). https://doi.org/10.1289/EHP5580

Kosnik, M., J. Strickland, S. Marvel, D. Wallis, K. Wallace, A. Richard, D. Reif, AND T. Shafer. Concentration-Response Evaluation of ToxCast Compounds for Multivariate Activity Patterns of Neural Network Function. Archives of Toxicology. Springer, New York, NY, 94:469-484, (2020). https://doi.org/10.1007/s00204-019-02636-x