Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space." Food and Chemical Toxicology. 2017.
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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
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Computational toxicology approaches at the US Food and Drug Administration." Altern Lab Anim.. 2009;37(5):523-531. Abstract
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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.
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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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Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis." Toxicology Letters. 2014;229:S49.
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A structural feature-based computational approach for toxicology predictions." Expert Opinion on Drug Metabolism & Toxicology. 2010;6(4):505-518.
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In silico workflows for toxicity prediction implemented into KNIME." Toxicology Letters. 2013;221:S81.
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Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction." Toxicology Mechanisms and Methods. 2008;18(2-3):103-118.
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ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology." Chemical Research in Toxicology. 2016;29(8):1225-1251.
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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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Use of computational tools in the field of food safety." Regulatory Toxicology and Pharmacology. 2011;60(3):354-362. Abstract
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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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Toxicology ontology perspectives." ALTEX. 2012;29(2):139-156. Abstract
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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.
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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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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.
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Comparison of Methods for Sequential Screening of Large Compound Sets." Combinatorial Chemistry & High Throughput Screening. 2006;9(2):115-122. Abstract
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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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Development of computational models for the risk assessment of cosmetic ingredients." IFSCC Magazine. 2012;15:249-255. Abstract
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