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Carbamates, QSAR predictions and ICH M7 classification; making use of expert knowledge

Hemingway R;

This presentation was Part 2 of the Lhasa Limited vICGM: Assessment of predictive performance of publicly available structural alert sets for (Ames test) Mutagenicity.

Carbamates have been highlighted in the literature as a functional group associated with DNA reactivity. Currently there is no structural alert for in vitro mutagenicity in Derek Nexus for the carbamate chemical class as a whole. This study assesses the impact such an alert would have on the predictive performance of a QSAR system (Derek and Sarah Nexus) for the Ames test and subsequent ICH M7 classification.

This was presented by Dr. Rachel Hemingway on the 5th of October 2016. 

 

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