The Landscape of Potential Small and Drug Substance Related Nitrosamines in Pharmaceuticals
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
Published in Journal of pharmaceutical sciences (01.05.2023)
Published in Journal of pharmaceutical sciences (01.05.2023)
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Journal Article
A deep dive into historical Ames study data for N-nitrosamine compounds
Tennant, Rachael E., Ponting, David J., Thresher, Andrew
Published in Regulatory toxicology and pharmacology (01.09.2023)
Published in Regulatory toxicology and pharmacology (01.09.2023)
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Journal Article
Use of the TD50 99 % CI for single dose rodent carcinogenicity studies
Thomas, Robert, Oliveira, Antonio Anax F, Ponting, David J, Thresher, Andrew
Published in Toxicology letters (01.12.2023)
Published in Toxicology letters (01.12.2023)
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Journal Article
Machine Learning Predicts Degree of Aromaticity from Structural Fingerprints
Ponting, David J, van Deursen, Ruud, Ott, Martin A
Published in Journal of chemical information and modeling (26.10.2020)
Published in Journal of chemical information and modeling (26.10.2020)
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Journal Article
Nitrosamine acceptable intakes should consider variation in molecular weight: The implication of stoichiometric DNA damage
Fine, Jonathan, Allain, Leonardo, Schlingemann, Joerg, Ponting, David J., Thomas, Robert, Johnson, George E.
Published in Regulatory toxicology and pharmacology (01.12.2023)
Published in Regulatory toxicology and pharmacology (01.12.2023)
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Journal Article
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning
Öeren, Mario, Walton, Peter J., Suri, James, Ponting, David J., Hunt, Peter A., Segall, Matthew D.
Published in Journal of medicinal chemistry (27.10.2022)
Published in Journal of medicinal chemistry (27.10.2022)
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Journal Article
Mechanisms of Nitrosamine Mutagenicity and Their Relationship to Rodent Carcinogenic Potency
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.
Published in Chemical research in toxicology (19.02.2024)
Published in Chemical research in toxicology (19.02.2024)
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Journal Article
Revisiting the Landscape of Potential Small and Drug Substance Related Nitrosamines in Pharmaceuticals
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
Published in Journal of pharmaceutical sciences (01.12.2023)
Published in Journal of pharmaceutical sciences (01.12.2023)
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Journal Article
Acceptable intakes (AIs) for 11 small molecule N-nitrosamines (NAs)
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.
Published in Regulatory toxicology and pharmacology (01.08.2023)
Published in Regulatory toxicology and pharmacology (01.08.2023)
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Journal Article
Predicting p K a Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods
Hunt, Peter, Hosseini-Gerami, Layla, Chrien, Tomas, Plante, Jeffrey, Ponting, David J, Segall, Matthew
Published in Journal of chemical information and modeling (22.06.2020)
Published in Journal of chemical information and modeling (22.06.2020)
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Journal Article
Use of less-than-lifetime (LTL) durational limits for nitrosamines: Case study of N-Nitrosodiethylamine (NDEA)
Bercu, Joel P., Masuda-Herrera, Melisa, Johnson, George, Czich, Andreas, Glowienke, Susanne, Kenyon, Michelle, Thomas, Rob, Ponting, David J., White, Angela, Cross, Kevin, Waechter, Fernanda, Rodrigues, Maria Augusta C.
Published in Regulatory toxicology and pharmacology (01.07.2021)
Published in Regulatory toxicology and pharmacology (01.07.2021)
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