Computational Prediction of Metabolic α-Carbon Hydroxylation Potential of N-Nitrosamines: Overcoming Data Limitations for Carcinogenicity Assessment.
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DOI: 10.1021/acs.chemrestox.3c00083
Abstract: Recent withdrawal of several drugs from the market due to elevated levels of N-nitrosamine impurities underscores the need for computational approaches to assess the carcinogenicity risk of nitrosamines. However, current approaches are limited because robust… read more here.
Keywords: carcinogenicity; metabolic carbon; carbon hydroxylation; hydroxylation ... See more keywords