to incorporate computational toxicology into risk assessment practices
Toxicology hazard profile of a chemical
Expertise provided: Computational chemist and toxicologist.
The deliverable is a report including information about the software tools which are employed, the reliable predictions and the final call for the following toxicological properties:
Skin and eye irritation
Mutagenicity / Genotoxicity
Endocrine System Disruption
For each endpoint adequate QSAR models and profilers are applied. Each predictions is assessed by an expert to check the reliability and the reliable predictions are combined into a final call for each endpoint.
This in silico toxicology hazard profile gives information on possible hazard of the chemical useful to prioritize and design the tests in vitro.
Generate data to be used as a part of the weight-of-evidence in regulatory submissions
Expertise provided: Computational chemist, computational toxicologist, toxicologist.
The deliverable is a report suitable to be used as a line of evidence in a weight of evidence approach for regulatory purposes.
We use a customized version of the workflow described in “Navigating through the minefield of read-across frameworks: A commentary perspective”, Computational Toxicology, Volume 6, May 2018, Pages 39-54, G. Patlewicz, M.T.D. Cronin, G. Helman, J.C. Lambert, L.E. Lizarraga, I. Shah.
When the target is a UVCB substance, a constituents approach is applied.