Important Aspects to Consider in the Application of in silico Tools for Regulatory Contexts

This year has been very exciting for the computational toxicology group at Instem. Together with our collaborators, customers, partners and colleagues we progressed our efforts to further regulatory acceptance and use of in silico approaches to support the 3Rs.

New acute toxicity (Q)SAR manuscript

Late last year we reviewed a collaboration to assess whether acute (Q)SAR models are fit-for-purpose1 to support classification and labeling, since the use of an alternative approach would support the 3Rs. As part of this exercise, a series of primarily proprietary chemicals with acute toxicity data were run through the different acute (Q)SAR methodologies and …

Are (Q)SAR models fit-for-purpose for classification and labelling?

We were recently involved in a cross-industry project to determine whether (Q)SAR models were fit-for-purpose for classification and labelling. To test this hypothesis, a series of companies across different industrial sectors each compiled a data set of chemicals with experimental acute rat oral data. These chemicals were run against the first version of the Leadscope …