INSIGHT: An integrated framework for safe and sustainable chemical and material assessment

Auteurs

Serra A., Zouraris D., Schaffert A., Torres Maia M., Tsiros P., Virmani I., Di Lieto E., Saarimäki L.A., Morikka J., Riudavets-Puig R., Varsou D.D., Papavasileiou K.D., Kolokathis P.D., Mintis D.G., Tzoupis H., Tsoumanis A., Melagraki G., Arvanitidis A., Doganis P., Minadakis V., Savvas G., Perello-y-bestard A., Cucurachi S., Buljan M., Nikiforou F., Karakoltzidis A., Karakitsios S., Sarigiannis D.A., Friedrichs S., Seitz C., Gutierrez T.N., Isigonis P., Cambier S., Marvuglia A., Lindner G.G., Sergent J.A., Gheorghe L.C., Bradford L.J.A., Park S.G., Ha S.M., Gerelkhuu Z., Yoon T.H., Petry R., Martinez D.S.T., Winkler D.A., Wick P., Exner T.E., Dondero F., Serchi T., Peijnenburg W., Sarimveis H., Paparella M., Lynch I., Afantitis A., Greco D.

Référence

Computational and Structural Biotechnology Journal, vol. 29, pp. 125-137, 2025

Description

The assessment of chemicals and materials has traditionally been fragmented, with health, environmental, social, and economic impacts evaluated independently. This disjointed approach limits the ability to capture trade-offs and synergies necessary for comprehensive decision-making under the Safe and Sustainable by Design (SSbD) framework. The EU INSIGHT project addresses this challenge by developing a novel computational framework for integrated impact assessment, based on the Impact Outcome Pathway (IOP) approach. Extending the Adverse Outcome Pathway (AOP) concept, IOPs establish mechanistic links between chemical and material properties and their environmental, health, and socio-economic consequences. The project integrates multi-source datasets (including omics, life cycle inventories, and exposure models) into a structured knowledge graph (KG), ensuring FAIR (Findable, Accessible, Interoperable, Reusable) data principles are met. INSIGHT is being developed and validated through four case studies targeting per- and polyfluoroalkyl substances (PFAS), graphene oxide (GO), bio-based synthetic amorphous silica (SAS), and antimicrobial coatings. These studies demonstrate how multi-model simulations, decision-support tools, and artificial intelligence-driven knowledge extraction can enhance the predictability and interpretability of chemical and material impacts. Additionally, INSIGHT incorporates interactive, web-based decision maps to provide stakeholders with accessible, regulatory-compliant risk and sustainability assessments. By bridging mechanistic toxicology, exposure modeling, life cycle assessment, and socio-economic analysis, INSIGHT advances a scalable, transparent, and data-driven approach to SSbD. This project aligns with the European Green Deal and global sustainability goals, promoting safer, more sustainable innovation in chemicals and materials through an integrated, mechanistic, and computationally advanced framework.

Lien

doi:10.1016/j.csbj.2025.03.042