How can in silico methods support the derivation of safety limits?

In silico methods can aid chemical safety assessment by providing a knowledge-based and convenient prediction of chemical toxicity. Currently, in silico predictions are extensively used to support hazard identification (for example: yes/no prediction of bacterial mutagenicity). Conversely, integration of computational models in regulatory frameworks to establish quantitative safety limits remains still challenging. The aim of the talk is to discuss ways to apply in silico methodologies in the context of safety limits derivation for regulatory purposes. Generally, each application field (e.g., occupational toxicology, extractables, and leachables, non-genotoxic impurities) follows specific workflows to integrate in silico methods (using class assignment and/or read-across approaches) in the chemical assessment.

Presenter: Manuela Pavan (Innovatune srl) 

Dr. Manuela Pavan provides toxicology consulting services to Industry for the evaluation of human health endpoints (including the genotoxic and carcinogenic potential assessment of pharmaceutical impurities). Her main interest lies in the use of in silico approaches (read-across, QSAR, alerts, grouping, categories) that Industry uses in compliance with regulations such as ICH M7, REACH, CLP guidelines, biocides and cosmetics guidelines; she is then committed to combine information and data coming from different sources in an efficient and informed way.