Publication Topic

Covington T, Borghoff SJ, Sims JL, Kamel A, Markey K, Wetmore BA, Lynn SG. Use of an in silico mass balance model to predict chemical suitability for screening chemicals in a high-throughput assay platform for potential endocrine activity. Poster 3, Poster Session II, American Society for Cellular and Computational Toxicology (ASCCT) 15^th Annual Meeting, Durham, NC, October 28, 2026

Klaren WD, East A, Wheeler M, Vincent M, Wikoff DS, Covington T. Probabilistic estimation of daily total nitrosamine exposures generated from drinking water and dietary nitrate and nitrate sources. Abstract 3982, Society of Toxicology 65^th Annual Meeting, San Diego, CA, March 2026.

Karamertzanis PG, Rasenberg M, Shah I, Patlewicz G. 2025. Modelling in vitro mutagenicity using multi-task deep learning and REACH data. Chem Res Toxicol 38(8):1382-1407; doi: 19.1021/acs.chemrestox.5c00152. PMID: 40680271.

Cook B, Nelms M, Harris D, Bever RJ, Lynn SG, Williams D, Borghoff S, Edwards SW, Markey K. Identifying structural overlap between EDSP universe of chemicals and ToxCast/Tox21 using chemical clustering and uniform manifold approximation and projection. Abstract 4034, Society of Toxicology 64^th Annual Meeting, Orlando, FL, March 2025.

Covington TR, Borghoff SJ, Bacigalupi L, O’Neal S, Cook B, Nelms M, et al. Prediction of chemical suitability for screening in a high-throughput assay platform using an in silico mass balance model. American Society of Cellular and Computational Toxicology Annual Meeting, Research Triangle Park, NC, October 2024.

Banerjee A, Kar S, Roy K, Patlewicz G, Charest N, Benfenati E, Cronin MTD. 2024. Molecular similarity in chemical informatics and predictive toxicity modeling: From quantitative read-across (q-RA) to quantitative read-across structure-activity relationship (q-RASAR) with the application of machine learning. Crit Rev Toxicol 54(9):659-684; doi: 10.1080/10408444.2024.2386260. PMID: 39225123.

Perry CS, Verwiel AH, Covington TR, Proctor DM. 2024. PBPK modeling demonstrates that exposure time adjustment is unnecessary for setting an acute manganese inhalation exposure guideline. Regul Toxicol Pharmacol 153(Nov):105698; doi: 10.1016/j.yrtph.2024.105698. PMID: 39251127.

Groff L, Williams A, Shah I, Patlewicz G. 2024. MetSim: Integrated programmatic access and pathway management for xenobiotic metabolism simulators. Chem Res Toxicol 37(5):685-697; doi: 10.1021/acs.chemrestox.3c00398. PMID: 38598715.

Nelms MD, Antonijevic T, Ring C, Harris DL, Bever RJ, Lynn SG, … Borghoff S, et al. 2024. Chemistry domain of applicability evaluation against existing estrogen receptor high-throughput assay-based activity models. Front Toxicol 6(April 17):1346767; https://doi.org/10.3389/ftox.2024.1346767. PMID: 38694816.

Edwards S, Antonijevic T, Nelms M, Ring C, Harris D,…, Borghoff S, Markey K. Optimizing androgen receptor prioritization using high-throughput assay-based activity models. Abstract 4381, Society of Toxicology 63rd Annual Meeting, Salt Lake City, UT, March 2024.