Computational toxicology is a highly effective alternative method for predicting the impact of biocidal chemicals, and its use is increasingly necessary from regulations such as Regulation (EU) No. 528/2012 (“Biocidal Products Regulation”, BPR). This regulation simplifies the approval of active substances, but involves an increase in the number of animal tests to comply with the information requirements that are requested, and a high cost of the registration procedure. For these reasons, the BPR itself promotes the sharing of data and the use of alternative methods such as those developed in ProtoQSAR.
ProtoQSAR is currently participating in the “COMBASE” project of the European LIFE + program, developing a computer solution to predict the toxic effects of biocides during their life cycle and the subsequent processes of degradation. For the first time in Europe, a tool integrating an exhaustive database with ecotoxicological information on biocidesand a set of specific computer models will be available. Furthermore, the computational models will be experimentally validatedin four trophic levels to confirm their effectiveness and guarantee their regulatory validity.
ProtoQSAR’s participation in the COMBASE project is briefly described in number 75 of the magazine “Plagas Urbanas“. The final computational tool issued from the project will have a positive impact in industry, since “in silico” evaluations of the ecotoxicity of new chemical candidates will be safe, free of waste and respectful with the environment. In this way, ProtoQSAR contributes to compliance with BPR, respecting the precautionary principle, the promotion of low risk substances and the reduction of animal tests.