N-nitrosamines: in silico modelling of DNA reactivity and identification of metabolic precursors

This was published in July - but I have only seen it just now, and can’t see anyone else having posted it.

N-nitrosamines: in silico modelling of DNA reactivity and identification of metabolic precursors | Mutagenesis | Oxford Academic

This looks like it takes CPCA further, in terms of modelling better in terms of AMES positivity/negativity versus structural components. Corrects the previous model where there were differences between the prediction and the real data. Some of those that still don’t model correctly are interesting.

3 Likes