A Structured Approach to SSbD

Nodes Re-design (selection node) Why did we decide on XYZ two years ago? 7SSbD = Reuse scenario in the FAIR paradigm 5Electronic lab notebook –DAG implementation backbone 2Challenges (practical) 1Challenges (operationalization) ** 3Structured digital workflow. SSbD as a Directed Acyclic Graph (DAG) Repurposes data from regulatory and LCA contexts.Requires engagement from non-specialists Our approach combines: ✔️Electronic Lab Notebook (eLabFTW) for structured data capture ✔️Directed Acyclic Graph (DAG) to link materials, processes,products, decisions ✔️Automation of data gathering and reporting ✔️Co-created data entry templates guide users in recording metadata and results consistently https://enanomapper.adma.ai/templates/ (Template Wizard/ Designer 10.1038/s41596-024-00993-1 ) Demo at https://sbd.adma.ai • Early-stage work is focused on performance •often actors lacks toxicology or LCA expertise •Data and assessments are fragmented •files, spreadsheets, emails •No common structure or platform for collaboration •while exploring the design space •Difficult to trace decisions or justify design paths A Structured Approach to SSbD Towards Addressing Co-Creation Gaps: Automating SSbD Workflows with Electronic Lab Notebooks * Nina Jeliazkovaа^, Nikolay Kochevа, Luchesar Ilieva, Vedrin Jeliazkova, Giampaolo Campanab а)Ideaconsult Ltd., Sofia, Bulgaria. ^ E-mail: jeliaz[email protected] b) University of Bologna, Bologna, Italia. •Integrating SSbD into the innovation process •Defining its scope •Integrating different assessment methods and tools •functionality, hazard, exposure, life cycle assessment •Requires collaboration •between scientists, policymakers, and industry •Effectively integrating risk and life cycle assessments. References * Jeliazkova, N., Kochev, N., Iliev, L., Jeliazkov, V. & Campana, G. Towards Addressing Co-Creation Gaps: Automating Safe-and-Sustainable-by-Design Workflows with Electronic Lab Notebooks. in 21st Global Conference on Sustainable Manufacturing (GCSM 2025), Lecture Notes in Mechanical Engineering in-print (Springer, 2025). in-print. ** Abbate, E. et al. Operationalization of the safe and sustainable by design framework for chemicals and materials: challenges and proposed actions. Integr. Environ. Assess. Manag. 21, 245–262 (2025). Example DAG ELN configured to represent essential SSbD resources •Chemical/Material •Processes •Product application(s) •(re)design nodes -decision nodes recorded explicitly while serving as a structured repository for •laboratory experiments (with templates) •hazard assessments (with templates) •computational models •environmental sustainability evaluations , etc… Resources and experiments are categorized by type and by status. Each resource is assigned a dedicated page with metadata, linked experiments and resources. Experiments and resources are linked –creating the DAG Chemical / Materials Processes Product Molecular Design space of (ORMOCER) coatings There is also design space for additives, coating processes and textiles… Edges: input/outputs ELN is programmatically accessible, information upload and retrieval can be automated . External tools can be launched from within the workflow: predictive models, database queries Visualization -The graph , tables and any dashboard are automatically generated The graph captures the full reasoning path: reagents → synthesis → testing → decisions → product Outcomes: Plasticizer 1: safe, but discarded due to poor performance Plasticizer 2: discarded due to high hazard Plasticizer 3: both pass, selected for product Decision timestamps (T1–T3) document when and why materials were kept or discarded This work has received funding from the European Union’s Horizon Europe re-search and innovation programme under grant agreement No. 101092164 (ZeroF) and 101130073 (PHAntastic). 6Automation 3RD EDITION SAFE AND SUSTAINABLE BY DESIGN BOOT CAMP 28-30.10.2025 JRC, Ispra, Italy