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    Apr 2016
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Quantitative prediction of skin sensitisation potency based on structural alert spaces

Chilton ML;

This presentation discusses the new potency predictions for skin sensitisation that can be made within Derek Nexus. It covers the creation of a Lhasa EC3 dataset through the collection of LLNA potency data, as well as explaining how the model makes potency predictions by identifying nearest neighbours within a defined alert space. The accuracy of the model in predicting EC3 values is also presented, along with a demonstration of the software to show how the EC3 model fits into the Derek Nexus framework.


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