Strengthening the Case for in silico GTI Assessments.pdf
In silico systems, such as structural alerts, are increasingly being used for the assessment of mutagenicity. Regulatory acceptance of such systems has recently been strengthened by a draft of the ICH M7 guidelines, which supports the use two complementary (Q)SAR prediction systems for assessment of genotoxic impurities (GTIs), one of which should be expert rule-based, and a second, statistically-based system. The basis of this acceptance is that predictive systems can rule out the possibility of mutagenic potential in GTIs. In this work, we have devised and tested a number of methods to enhance Derek Nexus alerts.
Presented by Susanne Stalford at SOT, San Antonio, USA; 10th - 14th March 2013.