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

Journal: Computational And Structural Biotechnology Journal
Published:
Abstract

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.

Authors
Angela Serra, Dimitrios Zouraris, Alexandra Schaffert, Marcella Torres Maia, Periklis Tsiros, Ishita Virmani, Emanuele Di Lieto, Laura Saarimäki, Jack Morikka, Rafael Riudavets Puig, Dimitra-danai Varsou, Konstantinos Papavasileiou, Panagiotis Kolokathis, Dimitris Mintis, Haralampos Tzoupis, Andreas Tsoumanis, Georgia Melagraki, Alex Arvanitidis, Philip Doganis, Vasileios Minadakis, Giannis Savvas, Adrien Perello Y Bestard, Stefano Cucurachi, Marija Buljan, Fotini Nikiforou, Achilleas Karakoltzidis, Spyros Karakitsios, Dimosthenis Sarigiannis, Steffi Friedrichs, Christian Seitz, Tomas Gutierrez, Panagiotis Isigonis, Sébastien Cambier, Antonino Marvuglia, Gottlieb Lindner, Jacques-aurélien Sergent, L Gheorghe, Laura-jayne Bradford, Seung-geun Park, Seung Ha, Zayakhuu Gerelkhuu, Tae Yoon, Romana Petry, Diego Stéfani Martinez, David Winkler, Peter Wick, Thomas Exner, Francesco Dondero, Tommaso Serchi, Willie Peijnenburg, Haralambos Sarimveis, Martin Paparella, Iseult Lynch, Antreas Afantitis, Dario Greco