ReSCALE – Reasoning Agents for Sustainable Chemical Assessment

Challenge: complex decisions for chemical safety and sustainability

The development and use of chemicals place increasing demands on minimizing risks to human health and the environment. At the same time, current decision-making processes are often fragmented, where data from chemical databases, predictive models, and life cycle assessment (LCA) must be analyzed manually and separately. This makes it difficult for companies and authorities to quickly identify safer and more sustainable alternatives, especially in the context of substitution and the implementation of Safe and Sustainable by Design (SSbD).

Solution: AI-based reasoning agents for chemical assessment

Within ReSCALE, a new type of digital decision support is developed based on AI and so-called reasoning agents. These act as an “AI co-scientist” that can plan analyses, retrieve and integrate data from multiple sources, and synthesize and interpret results. By combining chemical databases, predictive models such as QSAR and toxicity models, scientific literature, and sustainability data, a more holistic and efficient chemical assessment becomes possible.

Customer value: better and faster decision-making

For industry and other stakeholders, this means that complex assessments can be performed faster, more systematically, and with greater transparency. The system supports the identification of safer and more sustainable alternatives, for example in solvent substitution, and enables trade-offs between functionality, safety, and environmental impact. This contributes to reduced risks, shorter development times, and stronger support for innovation and regulatory decision-making.

Pilot and application: focus on solvent substitution

The project includes a concrete pilot case where the technology is applied to solvent substitution – a priority area in industry. Existing tools and databases are integrated to demonstrate how AI-based reasoning agents can support experts in identifying and evaluating alternative chemicals that meet both performance and sustainability requirements.

Contribution to sustainable development and SSbD

ReSCALE contributes to the transition towards more sustainable and circular use of chemicals by operationalizing the principles of Safe and Sustainable by Design. By integrating safety, functionality, and life-cycle perspectives early in the development process, the project supports the creation of next-generation chemicals, materials, and processes that are safer for both people and the environment.