Available Tools for Prediction of Potential Degradation Products from Nitrosation Reactions

[Yosukemino]

QSAR Flex has the capability to evaluate nitrosating potential.

New publication on "Nitrosation" from MultiCASE

I’m thrilled to announce our latest ‘open access’ publication on predicting the extent of compound nitrosation, leading to the formation of nitrosamines and NDSRIs. This research showcases the development and application of both statistical and expert rule-based prediction systems, along with a novel technique I’m calling “reaction-based read-across.” https://doi.org/10.1021/acs.chemrestox.4c00435