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

Patlewicz G, Mihalchik AL. Refinement of the threshold of toxicological concern (TTC): A computational framework for cross-scheme comparison of TTC values. Poster Session 1, Poster 24, American Society for Cellular and Computational Toxicology (ASCCT) 15^th Annual Meeting, Durham, NC, October 27, 2026.

Patlewicz GY, Mihalchik AL. 2026. Revisiting the Threshold of Toxicological Concern: A computational framework for structural classification, cross-scheme comparison and opportunities for refinement. Comput Toxicol 39(Sept):100443; doi: 10.1016/j.comtox.2026.100443.

Patlewicz GY, Mihalchik AL, East A, Borghoff SJ, Thompson CM. 2026. Investigating the feasibility of deriving new environmentally relevant thresholds of Toxicological Concern (TTCs) from estimated chronic human equivalent benchmark dose (eBMD_HED) values. Comput Toxicol 38(June):100417; doi: 10.1016/j.comtox.2026.100417.

Shobair M, Allen D, Ballone I, Brull M, Burbank M, Choksi N, Fitch S, Irizar A, et al. A machine-learning approach for the development of a knowledgebase to identify systemic toxicity mechanistic targets and evaluate biological space coverage. Abstract 5161, Society of Toxicology 65^th Annual Meeting, San Diego, CA, March 2026.

Hagan B, Patlewicz G, Shah I. Metabolic similarity in read-across prediction: A case study using graph convolutional networks to predict genotoxicity outcomes from metabolic networks. Abstract 62, American Society for Cellular and Computation Toxicology 13th Annual Meeting, Research Triangle Park, NC, October 2024.

Leary AJ, Patlewicz G, Shah I. An exploration of the use of hybrid fingerprints in generalized read-across and their impact on predictive performance for selected in vivo toxicity outcomes. Abstract 42, American Society for Cellular and Computation Toxicology 13th Annual Meeting, Research Triangle Park, NC, October 2024.

Zwickl CM, Graham JC, Holly RA, Bassan A, Ahlberg E, Amberg A, Anger LT,.., Patlewicz G, et al. 2022. Principles and procedures for assessment of acute toxicity incorporating in silico methods. Comput Toxicol 24(Nov):100237; doi: 10.1016/j.comtox.2022.100237. PMID: 36818760.

Patlewicz G, Nelms MN, Rua D. 2022. Evaluating the utility of the Threshold of Toxicological Concern (TTC) and its exclusions in the biocompatibility assessment of extractable chemical substances from medical devices. Comput Toxicol 24(Nov):100246; doi: 10.1016/j.comtox.2022.100246. PMID: 36405647.

Nicolas CI, Linakis MW, Minto MS, Mansouri K, Clewell RA, Yoon M, Wambaugh JF, Patlewicz G, et al. 2022. Estimating provisional margins of exposure for data poor chemicals using high throughput computational methods. Front Pharmacol 13(Oct 7):980747; doi: 10.3389/fphar.2022.980747. PMID: 36278238.