Category: Publications

Cronin MTD, Madden JC, Yang C, Worth AP. “Unlocking the potential of in silico chemical safety assessment – A report on a cross-sector symposium on current opportunities and future challenges.” Computational Toxicology. 2019;10:38-43.

Honma M, Kitazawa A, Cayley A, et al. “Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project.” Mutagenesis. 2018;34(1):3-16.

Rathman JF, Yang C, Zhou H. “Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment.” Computational Toxicology. 2018;6:16-31.

Yang C, Barlow SM, Muldoon Jacobs KL, et al. “Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space.” Food and Chemical Toxicology. 2017.

Boobis A, Brown P, Cronin MTD, et al. “Origin of the TTC values for compounds that are genotoxic and/or carcinogenic and an approach for their re-evaluation.” Critical Reviews in Toxicology. 2017:1-23.

Richard AM, Judson RS, Houck KA, et al. “ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology.” Chemical Research in Toxicology. 2016;29(8):1225-1251.

Williams FM, Rothe H, Barrett G, et al. “Assessing the safety of cosmetic chemicals: Consideration of a flux decision tree to predict dermally delivered systemic dose for comparison with oral TTC (Threshold of Toxicological Concern).” Regulatory Toxicology and Pharmacology. 2016;76:174-186.

Yang C, Tarkhov A, Marusczyk J, et al. “New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling.” J. Chem. Inf. Model.. 2015;55(3):510-528.

Vitcheva V, Sharif MA, Tsakovska I, et al. “Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis.” Toxicology Letters. 2014;229:S49.