Projects / Programmes
Selection and preparation of a dossier potentially neurotoxic chemical using in silico methods for the purpose of implementing the European chemical legislation REACH
| Code |
Science |
Field |
Subfield |
| 1.04.02 |
Natural sciences and mathematics |
Chemistry |
Structural chemistry |
| Code |
Science |
Field |
| P351 |
Natural sciences and mathematics |
Structure chemistry |
| Code |
Science |
Field |
| 1.04 |
Natural Sciences |
Chemical sciences |
REACH, neurotoxicity, QSAR, read across, high-volume chemicals, solvents
Researchers (4)
Organisations (3)
Abstract
The project is focused on the search for neurotoxic compounds in a group of chemicals that are used in industry in large quantities, using in silico methods. It is divided into four main tasks: setting up a set of chemicals, arranging their toxicological profiles, selecting candidates (one to five) by reviewing and comparing existing data and presenting a dossier for the selected candidate. The first task will be to review the databases on neurotoxic properties collected by various institutions such as the 'Environmental Protection Agency' (US EPA), the OECD and the European Chemicals Agency (ECHA) and selected a set of approximately 1000 chemicals. In the second case, for selected chemicals we will evaluate neurotoxicity with the corresponding QSAR models and make their in silico toxicological profiles. By using chemometric methods (grouping) we will identify some potential candidates. For one selected chemical we will prepare a dossier for its classification as a substance of very high concern (SVHC), on the basis of which it can be included in the candidate list of substances in accordance with the REACH Regulation or alternative measures will be proposed to minimize the risk for human health. An additional contribution of the project will be the evaluation of the QSAR models themselves, which will be obtained by comparing predicted and experimentally determined toxicological values.
Significance for science
Neurotoxicity is a very important toxicological property, which is also due to the increasing number of neurodegenerative diseases in the center (focus) of research. In the project we will present a picture of the current state of in silico methods for the evaluation of neurotoxicity, and develop new sets of these methods for the best prediction of this toxicological point for compounds or chemicals.
Significance for the country
Submission of a dossier to ECHA is important for the economy and society, because it reflects Slovenian engagement in the EU and also may have the impact on decision-making in EU bodies. The results of the proposed project will influence the criteria for the use of compounds for different purposes and serve to prepare a priority list of substances that cause very high concern. The results of surveys in this area will help to understand the potential risk of exposure to selected groups of substances and their metabolites through air, food, beverages and water, both in the laic and professional public. In this way, it will also very significantly contribute to the preparation of relevant guidelines, directives and regulations at national, European and global level, which will significantly contribute to the protection of public health.
Most important scientific results
Final report
Most important socioeconomically and culturally relevant results
