Computational Prediction of Metabolic α-Carbon Hydroxylation Potential of N-Nitrosamines: Overcoming Data Limitations for Carcinogenicity Assessment
Author:
Affiliation:
1. MultiCASE Inc., 23811 Chagrin Blvd, Suite 305, Beachwood, Ohio 44122, United States
Publisher
American Chemical Society (ACS)
Subject
Toxicology,General Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.chemrestox.3c00083
Reference55 articles.
1. Occurrence of nine nitrosamines and secondary amines in source water and drinking water: Potential of secondary amines as nitrosamine precursors
2. Distribution of Seven N-Nitrosamines in Food
3. An Organic Chemist’s Guide to N-Nitrosamines: Their Structure, Reactivity, and Role as Contaminants
4. Estimated Cancer Risks Associated with Nitrosamine Contamination in Commonly Used Medications
5. Structure-based thresholds of toxicological concern (TTC): guidance for application to substances present at low levels in the diet
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2. P05-26 A comprehensive set of structural keys for N-Nitrosamine fingerprinting and determining surrogate relevance in Carcinogenic Potency Assessments;Toxicology Letters;2024-09
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