
Computational and Structural Biotechnology Journal, Journal Year: 2025, Volume and Issue: unknown
Published: March 1, 2025
The assessment of chemicals and materials has traditionally been fragmented, with health, environmental, social, economic impacts evaluated independently. This disjointed approach limits the ability to capture trade-offs synergies necessary for comprehensive decision-making under Safe Sustainable by Design (SSbD) framework. EU INSIGHT project addresses this challenge developing a novel computational framework integrated impact assessment, based on Impact Outcome Pathway (IOP) approach. Extending Adverse (AOP) concept, IOPs establish mechanistic links between chemical material properties their socio-economic consequences. integrates multi-source datasets (including omics, life cycle inventories, exposure models) into structured knowledge graph (KG), ensuring FAIR (Findable, Accessible, Interoperable, Reusable) data principles are met. is being developed validated through four case studies targeting per- polyfluoroalkyl substances (PFAS), graphene oxide (GO), bio-based synthetic amorphous silica (SAS), antimicrobial coatings. These demonstrate how multi-model simulations, decision-support tools, artificial intelligence-driven extraction can enhance predictability interpretability impacts. Additionally, incorporates interactive, web-based decision maps provide stakeholders accessible, regulatory-compliant risk sustainability assessments. By bridging toxicology, modeling, analysis, advances scalable, transparent, data-driven SSbD. aligns European Green Deal global goals, promoting safer, more sustainable innovation in an integrated, mechanistic, computationally advanced
Language: Английский