The Landscape of Potential Small and Drug Substance Related Nitrosamines in Pharmaceuticals von Schlingemann, Joerg, Burns, Michael J., Ponting, David J., Martins Avila, Carolina, Romero, Naiffer E., Jaywant, Mrunal A., Smith, Graham F., Ashworth, Ian W., Simon, Stephanie, Saal, Christoph, Wilk, Andrzej

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Utilisation of parametric methods to improve percentile-based estimates for the carcinogenic potency of nitrosamines von Thomas, Robert, Thresher, Andrew, Ponting, David J.

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Are all nitrosamines concerning? A review of mutagenicity and carcinogenicity data von Thresher, Andrew, Foster, Robert, Ponting, David J., Stalford, Susanne A., Tennant, Rachael E., Thomas, Robert

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Bioactivation of cinnamic alcohol in a reconstructed human epidermis model and evaluation of sensitizing potency of the identified metabolites von Ndreu, Lorena, Carlsson, Josefine, Ponting, David J, Niklasson, Ida B, Stéen, E Johanna L, McHugh, Lukas, O'Boyle, Niamh M, Luthman, Kristina, Karlberg, Ann-Therese, Karlsson, Isabella

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What Makes a Potent Nitrosamine? Statistical Validation of Expert-Derived Structure–Activity Relationships von Thomas, Robert, Tennant, Rachael E., Oliveira, Antonio Anax F., Ponting, David J.

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Strategies for Assessing Acceptable Intakes for Novel N‑Nitrosamines Derived from Active Pharmaceutical Ingredients von Ponting, David J., Dobo, Krista L., Kenyon, Michelle O., Kalgutkar, Amit S.

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A deep dive into historical Ames study data for N-nitrosamine compounds von Tennant, Rachael E., Ponting, David J., Thresher, Andrew

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Developing structure-activity relationships for N-nitrosamine activity von Cross, Kevin P., Ponting, David J.

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Use of the TD50 99 % CI for single dose rodent carcinogenicity studies von Thomas, Robert, Oliveira, Antonio Anax F, Ponting, David J, Thresher, Andrew

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Nitrosamine acceptable intakes should consider variation in molecular weight: The implication of stoichiometric DNA damage von Fine, Jonathan, Allain, Leonardo, Schlingemann, Joerg, Ponting, David J., Thomas, Robert, Johnson, George E.

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Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints von Ponting, David J, van Deursen, Ruud, Ott, Martin A

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Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning von Öeren, Mario, Walton, Peter J., Suri, James, Ponting, David J., Hunt, Peter A., Segall, Matthew D.

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Quantifying confidence in the reporting of metabolic biotransformations von Ponting, David J., Murray, Ernest, Long, Anthony

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Mechanisms of Nitrosamine Mutagenicity and Their Relationship to Rodent Carcinogenic Potency von Snodin, David J., Trejo-Martin, Alejandra, Ponting, David J., Smith, Graham F., Czich, Andreas, Cross, Kevin, Custer, Laura, Elloway, Joanne, Greene, Nigel, Kalgutkar, Amit S., Stalford, Susanne A., Tennant, Rachael E., Vock, Esther, Zalewski, Adam, Ziegler, Verena, Dobo, Krista L.

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A Case to Support the Continued Use of Rifampin in Clinical Drug–Drug Interaction Studies von Bercu, Joel P., Ponting, David J., Ripp, Sharon L., Dobo, Krista L., Totah, Rheem A., Bolleddula, Jayaprakasam

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Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs von Öeren, Mario, Kaempf, Sylvia C., Ponting, David J., Hunt, Peter A., Segall, Matthew D.

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Acceptable intakes (AIs) for 11 small molecule N-nitrosamines (NAs) von Bercu, Joel P., Masuda-Herrera, Melisa, Trejo-Martin, Alejandra, Sura, Priyanka, Jolly, Robert, Kenyon, Michelle, Thomas, Rob, Ponting, David J., Snodin, David, Tuschl, Gregor, Simon, Stephanie, De Vlieger, Kathleen, Hutchinson, Richard, Czich, Andreas, Glowienke, Susanne, Reddy, M. Vijayaraj, Johanssen, Sandra, Vock, Esther, Claude, Nancy, Weaver, Richard J.

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Revisiting the Landscape of Potential Small and Drug Substance Related Nitrosamines in Pharmaceuticals von Burns, Michael J, Ponting, David J, Foster, Robert S, Thornton, Benjamin P, Romero, Naiffer E, Smith, Graham F, Ashworth, Ian W, Teasdale, Andrew, Simon, Stephanie, Schlingemann, Joerg

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Predicting p K a Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods von Hunt, Peter, Hosseini-Gerami, Layla, Chrien, Tomas, Plante, Jeffrey, Ponting, David J, Segall, Matthew

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Use of Lhasa Limited Products for the In Silico Prediction of Drug Toxicity von Ponting, David J., Burns, Michael J., Foster, Robert S., Hemingway, Rachel, Kocks, Grace, MacMillan, Donna S., Shannon-Little, Andrew L., Tennant, Rachael E., Tidmarsh, Jessica R., Yeo, David J.

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