The demands for information on the (eco)toxicological properties of chemical substances are increasing.

NCEC provides quantitative structure-activity relationship (QSAR) modelling services to generate this key data about the substances you place on the market.

Quantitative structure-activity relationship modelling

QSAR modelling is a key method for filling in the gaps in (eco)toxicological data needed for substance registrations (e.g. as required under the Registration, Evaluation, Authorisation and restriction of Chemicals (REACH) regulation). It meets a key aim of REACH (i.e. to minimise the amount of new toxicity and ecotoxicity testing) and provides significant cost savings.

Our QSAR service is provided by toxicologists and chemists with extensive experience in modelling techniques and the REACH regulation.
NCEC offers a QSAR modelling service to help you with the REACH compliance process. QSARs are models used to predict the physiochemical, biological and environmental fate of chemicals. Chemicals are grouped according to their structural or physicochemical similarity. These groups are then considered to have similar eco-toxicological and toxicological properties. This similarity between chemicals is then used to predict information about unknown structures.

Why use QSAR modelling?

QSAR modelling is a key method for filling in the gaps in (eco)toxicity data needed for REACH registration. The REACH regulation even states that modelling and read-across should be carried out before any testing is considered. NCEC’s QSAR service uses modelling techniques that are compliant with REACH requirements and the reports we prepare can be used in registration dossiers.

The modelling can also be used to determine the hazard classification of substances according to the Regulation on the Classification, Labelling and Packaging of Substances and Mixtures (CLP). Therefore, it is a useful tool in the process of classification, labelling and SDS authoring, and provides a cost and time-effective method of evaluating the hazards of substances that you place on the market.

How is QSAR modelling carried out?

NCEC uses a variety of QSAR models including Toxtree, Caesar and the Organisation for Economic Co-operation and Development (OECD) toolbox. These models have been specifically developed for REACH legislation, and the latter has been approved and validated by the European Chemicals Agency (ECHA).

With REACH registration deadlines approaching and increasing registration requirements in other parts of the world, now is the time to evaluate if you have sufficient information on the hazards of your substances.

Click here to contact us for more information on QSAR's.