Scientific publications
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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.
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. Abstract

CSRML

Yang C, Valerio, Luis G. J, Arvidson KB. "Computational toxicology approaches at the US Food and Drug Administration." Altern Lab Anim.. 2009;37(5):523-531. Abstract
Yang C, Ambrosio M, Arvidson K, et al. "Development of new COSMOS oRepeatDose and non-cancer Threshold of Toxicological Concern (TTC) databases to support alternative testing methods for cosmetics related chemicals." Toxicology Letters. 2013;221:S80.
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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.
Williams FM, Ambrosio M, Barrett G, et al. "Threshold of toxicological concern (TTC) task force: a strategy to support application of TTC to dermally applied cosmetic ingredients." Toxicology Letters. 2013;221:S35.
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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.
Valerio LG, Yang C, Arvidson KB, Kruhlak NL. "A structural feature-based computational approach for toxicology predictions." Expert Opinion on Drug Metabolism & Toxicology. 2010;6(4):505-518.
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Richarz A-N, Enoch S, Hewitt M, et al. "In silico workflows for toxicity prediction implemented into KNIME." Toxicology Letters. 2013;221:S81.
Richard AM, Yang C, Judson RS. "Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction." Toxicology Mechanisms and Methods. 2008;18(2-3):103-118.
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.
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.
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Piparo EL, Worth A, Manibusan M, et al. "Use of computational tools in the field of food safety." Regulatory Toxicology and Pharmacology. 2011;60(3):354-362. Abstract
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Matthews EJ, Kruhlak NL, Benz DR, Contrera JF, Marchant CA, Yang C. "Combined Use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows Software to Achieve High-Performance, High-Confidence, Mode of Action–Based Predictions of Chemical Carcinogenesis in Rodents." Toxicology Mechanisms and Methods. 2008;18(2-3):189-206. Abstract
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Leist M, Lidbury BA, Yang C, et al. "Novel technologies and an overall strategy to allow hazard assessment and risk prediction of chemicals, cosmetics, and drugs with animal-free methods." ALTEX. 2012;29(4):373-388. Abstract
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Hardy B, Apic G, Carthew P, et al. "Toxicology ontology perspectives." ALTEX. 2012;29(2):139-156. Abstract
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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.
Cherkasov A, Muratov EN, Fourches D, et al. "QSAR Modeling: Where Have You Been? Where Are You Going To?" Journal of Medicinal Chemistry. 2014;57(12):4977-5010. Abstract
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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.
Blower P, Cross K, Eichler G, Myatt G, Weinstein J, Yang C. "Comparison of Methods for Sequential Screening of Large Compound Sets." Combinatorial Chemistry & High Throughput Screening. 2006;9(2):115-122. Abstract
Benigni R, Laura Battistelli C, BOSSA CECILIA, et al. "Evaluation of the applicability of existing (Q)SAR models for predicting the genotoxicity of pesticides and similarity analysis related with genotoxicity of pesticides for facilitating of grouping and read across." EFSA Supporting Publications. 2019;(378).
Benigni R, NETZEVA TATIANAI, BENFENATI EMILIO, et al. "The Expanding Role of Predictive Toxicology: An Update on the (Q)SAR Models for Mutagens and Carcinogens." Journal of Environmental Science and Health, Part C. 2007;25(1):53-97.
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Anzali S, Berthold MR, Fioravanzo E, et al. "Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract