30 July 2013
Lhasa, a global supplier of knowledge based software and associated databases for use in toxicity, metabolism and the related sciences, has announced the development of Sarah Nexus, a statistical (Q)SAR methodology for the prediction of mutagenicity from chemical structure.
Under the proposed ICH M7 Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk, the absence of structural alerts from two complementary predictive methodologies (expert rule based and statistical) and an expert review will be sufficient to conclude that impurities in pharmaceuticals are of no mutagenic concern. The expert rule based approach of Derek Nexus combined with the statistical approach of Sarah Nexus will enable organisations to meet the requirements of ICH M7.
The OECD member countries have agreed a set of principles, which can be found here, against which (Q)SAR models can be evaluated as fit for regulatory purposes. Sarah Nexus exceeds these four core principles by extending the concept of applicability domain, or chemical space in which the model can be considered valid, by providing a level of confidence (expected accuracy) for every prediction.
David Watson, CEO of Lhasa, commented: ‘The prediction of the mutagenic potential of impurities in pharmaceuticals for regulatory submission is a key requirement for our members. Adding the statistical approach of Sarah Nexus to the world leading expert rule based approach of Derek Nexus will enable our members to seamlessly meet the in silico requirements of ICH M7.’
Sarah Nexus uses the data held within Vitic, Lhasa’s custom database, benefiting from this large peer reviewed and expert-curated mutagenicity dataset.