Regulatory toxicology and ecotoxicology

Our specialization in chemoinformatics techniques such as QSAR and read-across allows us to help companies to meet the requirements of different national and international laws related to the impact of their products on human beings and the environment, such as REACH, BPR, CLP or ICH.

Some computer tools are available on the Internet to predict the parameters required by these regulations. Nevertheless, most of them are incomplete or of great technical complexity for most users, and their reliability is not always as high as wished. For this reason, in ProtoQSAR we have specific models with contrasted quality, which are characterized by:

  • They cover the complete panel of endpoints (physicochemical, toxicological and ecotoxicological parameters) that allow us to determine the total profile of any compound that has to be evaluated for registration and/or authorization at regulatory level.
  • They comply strictly with the rules established by the Organization for Economic Co-operation and Development (OECD) for their scientific validation and acceptance for regulatory purposes. This ensures their applicability at the regulatory level by international bodies such as the European Chemicals Agency (ECHA), the European Medicines Agency (EMA), the European Food Safety Authority (EFSA), or the U.S. Food and Drug Administration (FDA).
  • All our models are subjected to a double validation, internal and external, and when possible we additionally perform an experimental validation with independent structures belonging to the same chemical space or “domain of applicability”.
  • They are ready for immediate use, so we can provide the requested information quickly and at a very low cost.
  • Our results are presented in adequate standardized formats to facilitate the administrative procedures in the process of regulation/authorization, such as QMRF (required in the IUCLID registry tool).
  • Our demonstrable background also allows us to provide our expert opinion to the regulatory bodies, indispensable to adequately complete the required documentation to be attached with the calculated predictive values.