Publication Topic

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.

Roell K, Koval LE, Boyles R, Patlewicz G, Ring C, Rider CV, Ward-Caviness C, Reif D, et al. 2022. Development of the intelligence and machine learning toolkit (TAME) for introductory data science, chemical-biological analyses, predictive modelling, and database mining for environmental health research. Front Toxicol 4(Jun 22):893924; doi: 10.3389/ftox.2022.893924. PMID: 35812168.

Patlewicz G. 2022. Editorial: Reflections of the QSAR2021 meeting. Comput Toxicol 22(May):100221; doi: 10.1016/j.comtox.2022.100221. PMID: 35252631.

Patlewicz G, Worth AP, Yang C, Zhu T. 2022. Editorial: Advances and refinements in the development and application of threshold of toxicological concern. Front Toxicol 4(Apr 28):882321; doi: 10.3389/ftox.2022.882321. PMID: 35573274.

Williams AJ, Gaines LG, Grulke CM, Lowe CN, Sinclair G, Samano V, Thillainadarajah I, Meyer B, Patlewicz G, Richard AM. 2022. Assembly and curation of list of per- and polyfluoroalkyl substances (PFAS) to support environmental science research. Front Environ Sci 10(Apr 5):1-13; doi: 10.3389/fenvs.2022.850019. PMID: 35936994.

Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D et al. 2021. CATMoS: Collaborative acute toxicity modeling suite. Environ Health Perspect 129(4):47013; doi: 10.1289/EHP8495. PMID: 33929906.

Patlewicz G. 2020. Navigating the minefield of computational toxicology and informatics: Looking back and charting a new horizon. Front Toxicol 2:2; doi: 10.3389/ftox.2020.00002. PMID: 35296116.

Helman G, Patlewicz G, Shah I. 2019. Quantitative prediction of repeat dose toxicity values using GenRA. Regul Toxicol Pharmacol 109(Dec):104480; doi: 10.1016/j.yrtph.2019.104480. PMID: 31550520.

Thomas RS, Bahadori T, Buckley T, Cowden J, Deisenroth C, Dionisio K, Frithsen J,…, Patlewicz G, et al. 2019. The next generation of computational toxicology at the US Environmental Protection Agency. Toxicol Sci 169(2):317-332; doi: 10.1093/toxsci/kfz058. PMID: 30835285.

Kleinstreuer NC, Karmaus A, Mansouri K, Allen D, Fitzpatrick J, Patlewicz G. 2018. Predictive models for acute oral systemic toxicity: A workshop to bridge the gap from research to regulation. Comput Toxicol 8(11):21-24; doi: 10.1016/j.comtox.2018.08.002. PMID: 30320239.

Nelms MD, Mellow CL, Enoch SJ, Judson RS, Patlewicz G, Richard AM, Madden JM, Cronin MTD, Edwards SW. 2018. A mechanistic framework for integrating chemical structure and high-throughput screening results to improve toxicity predictions. Comput Toxicol 8(Nov):1-12; doi: 10.1016/j.comtox.2018.08.003. PMID: 36779220.

Fourches D, Williams AJ, Patlewicz G, Shah I, Grulke C, Wambaugh J, et al. 2018. Computational tools for ADMET profiling. Chapter 8 in: Ekins E (ed), Computational Toxicology: Risk Assessment for Chemicals, pp. 211–244. doi: 10.1002/9781119282594.ch8.

Myatt GJ, Ahlberg E, Akahori Y, Allen D, Amberg A, Anger LT, Aptula A,…, Patlewicz G, et al. 2018. In silico toxicology protocols. Regul Toxicol Pharmacol 96(July):1-17; doi: 10.1016/j.yrtph.2018.04.014. PMID: 29678766.

Patlewicz G, Cronin MTD, Helman G, Lambert JC, Lizarraga LE, Shah I. 2018. Navigating through the minefield of read-across frameworks: A commentary perspective. Comput Toxicol 6(May):39-54; doi: 10.1016/j.comtox.2018.04.002.

Williams A, Grulke C, Edwards J, McEachran A, Mansouri K, Baker N, Patlewicz G, Shah I, et al. 2017. The CompTox Chemistry Dashboard–A community data resource for environmental chemistry. J Cheminform 9(1):61; doi: 10.1186/s13321-017-0247-6. PMID: 29185060.

Liu J, Patlewicz G, Williams A, Thomas RS, Shah I. 2017. Predicting organ toxicity using in vitro bioactivity data and chemical structure. Chem Res Toxicol 30(11):2046-2059; doi: 10.1021/acs.chemrestox.7b00084. PMID: 28768096.