Science Inventory

Chang, D., K. Fay, K. Mansouri, K. Markey, J. Prindiville, G. Patlewicz, M. Lewis, M. Shobair, E. Saluck, AND A. Richard. Use of Supervised Learning Approaches with Hierarchical Fragment-based Representations (ToxPrints) to Characterize Mode-of-Action in Aquatic Fish Toxicity. SERMACS, Durham, NC, October 25 - 28, 2023. https://doi.org/10.23645/epacomptox.24790593

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

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

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

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

Shobair, Mahmoud A., Chris Grulke, D. Chang, R. Lougee, K. Paul-Friedman, AND A. Richard. Integrating in silico and in vitro data for New Approach Methods evaluation: Application to Tox21 TRHR assay results. The American Society for Cellular and Computational Toxicology (ASCCT) 2020 annual meeting, DURHAM, North Carolina, October 21 - 22, 2020. https://doi.org/10.23645/epacomptox.13148168

Shobair, Mahmoud A., D. Chang, Chris Grulke, K. Paul-Friedman, AND A. Richard. Integrating in silico and in vitro data to identify putative thyrotropin-releasing hormone receptor ligands. ACS Fall meeting, acs.org, San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12822230

Fay, K., K. Markey, K. Mansouri, J. Prindiville, G. Patlewicz, A. Richard, R. Lougee, Mahmoud A. Shobair, M. Lewis, E. Saluck, AND D. Chang. Revisiting and Updating Chemical Categorizations using chemical fingerprint and High-Throughput Screening Data - ACS 2020. ACS, San Francisco, California, August 16 - 20, 2020. https://doi.org/10.23645/epacomptox.12830594

Chang, D., K. Fay, K. Markey, M. Phillips, G. Patlewicz, A. Richard, L. Scarano, Mahmoud A. Shobair, R. Lougee, E. Saluck, J. Prindiville, C. Inglis, M. Lewis, AND K. Mansouri. Revisiting and updating chemical groupings with new approach methodologies. APCRA-5 Virtual Teleconference (Accelerating the Pace of Chemical Risk Assessment), Virtual, Virtual, August 26 - 27, 2020. https://doi.org/10.23645/epacomptox.13268963

Fay, K., K. Markey, K. Mansouri, J. Prindiville, G. Patlewicz, A. Richard, R. Lougee, Mahmoud A. Shobair, M. Lewis, E. Saluck, AND D. Chang. Revisiting and updating chemical groupings with new approach methodologies (Presentation by Dan Chang). ICCVAM RAWG, Virtual, Virtual, May 29, 2020. https://doi.org/10.23645/epacomptox.12564074

Shobair, M., M. Nelms, C. Deisenroth, G. Patlewicz, AND K. Paul-Friedman. A High-Throughput Approach to Identify and Prioritize Putative Thyroid-Stimulating Hormone Receptor Agonists and Antagonists. Presented at Society of Toxicology annual meeting, Baltimore, MD, March 10 - 14, 2019. https://doi.org/10.23645/epacomptox.7848404