Publications

Reátegui-Zirena EG, Lange SS, Jenkins A, Heintz MM, Franke K, Perry CS, Thompson C, et al. Acute health-based screening level derivation for cyanotoxins (microcystin, cylindrospermopsin and anatoxins). Abstract 7.05P-Th-197, Society of Environmental Toxicology and Chemistry, 45^th Annual Meeting, Fort Worth, TX, October 2024.

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.

Lea IA, Borghoff SJ, Chew R, Bell S, Edwards S, Vasko J, et al. Leveraging computational tools for enhanced human-in-the-loop systematic literature reviews. American Society of Cellular and Computational Toxicology Annual Meeting, Research Triangle Park, NC, October 2024.

Holt JR, Chew RF, Bunnage E, Lea I, Borghoff SJ, Sayer R, et al. Categorizing articles for environmental health systematic evidence mapping: A zero-shot machine learning approach using large language models. 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.

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.

Rogers JD, Patlewicz G, Baker E, Bettmann A, Clippinger A, Paul Friedman K. High-throughput safety pharmacology screening to better understand data-poor chemicals. Abstract 57, American Society for Cellular and Computation Toxicology 13^th Annual Meeting, Research Triangle Park, NC, October 2024.

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.

Patlewicz G, Judson RS, Williams AJ, Butler T, Barone Jr. S, Carstens K, Cowden J, Dawson JD, et al. 2024. Development of chemical categories for per- and polyfluoroalkyl substances (PFAS) and the proof-of-concept approach to the identification of potential candidates for tiered toxicological testing and human health assessment. Comput Toxicol 131(Sep 1):100327; doi: 10.1016/j.comtox.2024.100327. PMID: 40547594.