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An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines

Bentzien J; Brewer M; Dyekjær J; East S; Hickey E; Kemper R; Whittaker M;

In this paper, the authors describe an in silico first principal approach to predict the mutagenic potential of primary aromatic amines. This approach is based on the so-called “nitrenium hypothesis”, which was developed by Ford et al. in the early 1990s.

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