The INSIGHT project presents a novel, integrated computational framework for the safety and sustainability assessment of chemicals and materials. Leveraging structured knowledge graphs, model integration, and the Impact Outcome Pathway (IOP) approach, the framework supports holistic and mechanistic evaluations aligned with Safe and Sustainable by Design (SSbD) principles.
What is the topic of this paper?
The paper presents the INSIGHT project, which aims to develop an integrated, mechanistic, and computational framework for assessing the safety and sustainability of chemicals and materials. It introduces the Impact Outcome Pathway (IOP) concept that extends traditional toxicological models into broader socio-economic and environmental domains. The project supports Safe and Sustainable by Design (SSbD) assessments by integrating multi-source data, advanced modeling, and decision-support tools
What is the motivation for this paper?
The current methodologies for assessing the safety and sustainability of chemicals and materials are highly fragmented, hindering holistic and robust decision-making. This fragmentation exists at three critical levels:
- Data: Safety, environmental, and socio-economic data are often stored in isolated repositories, vary in format, and lack interoperability, making integrated analyses challenging.
- Models: Computational tools for toxicology, exposure, life cycle assessment, and socio-economic evaluation are typically developed and applied in silos, limiting their ability to interact or inform one another within a unified framework.
- Mechanistic interpretation: Existing approaches often fail to establish causal links between chemical properties and their downstream biological, environmental, and societal effects. This limits the capacity to predict adverse outcomes or sustainability trade-offs with sufficient mechanistic insight.
To overcome these limitations, the INSIGHT project proposes a comprehensive and mechanistic framework that systematically links chemical properties to real-world impacts across multiple domains. This approach directly supports the Safe and Sustainable by Design (SSbD) framework and contributes to broader policy objectives, such as those outlined in the European Green Deal, by promoting integrative, transparent, and forward-looking assessments.
What is the novelty?
The novelty of the INSIGHT framework lies in:
- The development of the Impact Outcome Pathway (IOP) concept, which builds on Adverse Outcome Pathways (AOPs) and expands them to include social, economic, and environmental impacts.
- The integration of multi-source datasets into a structured Knowledge Graph (KG).
- Deployment of interactive decision-support tools through user-friendly web interfaces, facilitating regulatory and industry adoption.
The use of a model graph to dynamically connect and execute multiple computational models within a modular, FAIR-compliant platform.
