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"Do Similar Structures Have Similar No Observed Adverse Effect Level (NOAEL) Values? Exploring Chemoinformatics Approaches for Estimating NOAEL Bounds and Uncertainties." Chemical Research in Toxicology. 2021;34(2):616-633.
"Thresholds of Toxicological Concern for cosmetics-related substances: New database, thresholds, and enrichment of chemical space." Food and Chemical Toxicology. 2017.
"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
"Computational toxicology approaches at the US Food and Drug Administration." Altern Lab Anim.. 2009;37(5):523-531. Abstract
"A new paradigm in threshold of toxicological concern based on chemoinformatics analysis of a highly curated database enriched with antimicrobials." Food and Chemical Toxicology. 2020;143:111561.
"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.
"Threshold of toxicological concern (TTC) task force: a strategy to support application of TTC to dermally applied cosmetic ingredients." Toxicology Letters. 2013;221:S35.
"Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis." Toxicology Letters. 2014;229:S49.
"A structural feature-based computational approach for toxicology predictions." Expert Opinion on Drug Metabolism & Toxicology. 2010;6(4):505-518.
"In silico workflows for toxicity prediction implemented into KNIME." Toxicology Letters. 2013;221:S81.
"Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction." Toxicology Mechanisms and Methods. 2008;18(2-3):103-118.
"ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology." Chemical Research in Toxicology. 2016;29(8):1225-1251.
"The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology." Chemical Research in Toxicology. 2021;34(2):189-216.
"Dempster-Shafer theory for combining in silico evidence and estimating uncertainty in chemical risk assessment." Computational Toxicology. 2018;6:16-31.
"Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment." Chemical Research in Toxicology. 2021;34(2):601-615.
"Use of computational tools in the field of food safety." Regulatory Toxicology and Pharmacology. 2011;60(3):354-362. Abstract
"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
"Toxicology ontology perspectives." ALTEX. 2012;29(2):139-156. Abstract
"A Robust, Mechanistically Based In Silico Structural Profiler for Hepatic Cholestasis." Chemical Research in Toxicology. 2021;34(2):641-655.
"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.
"QSAR Modeling: Where Have You Been? Where Are You Going To?" Journal of Medicinal Chemistry. 2014;57(12):4977-5010. Abstract
"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.