(Q)SAR, analogue- and grouping-based chemical assessment

Non-testing approaches to chemical safety assessment have taken over by ethical and societal demand, such as with the promotion of the 3Rs (Reduce, Refine, Replace) in REACH and the EU Cosmetics Regulation animal testing ban. In response to this regulatory and public demand, a large number of IT-tools and databases have been developed to support toxicologists in predicting the toxicity of the Chemicals of Interest (CoI); based on structure activity and analogue data. Structure activity depends on the recognition of structural characteristics that define chemical and biological reactivity, meaning that the ability to draw conclusions about the toxicity of an unknown compound depends on the quality of the databases and the scientific know-how acquired from years of experience.

At ToxMinds, we routinely apply an established rule and criteria-based SAR process to support our clients’ business strategies and regulatory submissions, but also for general product safety and stewardship purposes.

In this context, our services include:

Analogue-identification
Chemical similarity and reactivity assessments
Structure activity evaluations (‘Chemical Profiling’)
Comparative assessments of metabolic pathways and toxicokinetic behaviour
REACH- or other regulatory compliant analogue-based read-across or grouping justification
Integrated (Q)SAR, analogue and/or grouping-based hazard assessments
Uncertainty evaluation of chosen read-across approaches