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Abstract
Data-driven materials design and discovery require high-quality, machine-readable data. However, curating data from unstructured text is a bottleneck. Advances in natural language processing-especially attention-based large language models-enable automated information extraction. Here, we present a zero-shot extraction-synthensis framework that coordinates a two-stage ensemble of smaller, open-weight models ( ⩽ 27B parameters) to extract blood-brain barrier (BBB) nanoparticle design parameters from the literature. The Stage-2 synthesis step enforces fidelity by requiring textual evidence for every extracted value. On a 50-article gold-standard set, the framework outperforms Claude Sonnet 4 on key parameters by F 1-score: Zeta potential (96.2% vs 87.1%), Particle number (73.7% vs 54.3%), and Particle concentration (40.0% vs 18.6%). Applied at scale, we extract 28-32 BBB-relevant parameters per article across 526 articles. We publicly release the machine-readable dataset to support downstream modeling and benchmarking. Our approach demonstrates an accessible, reproducible path to accelerated data curation for AI-driven materials design.
| Original language | English |
|---|---|
| Article number | 025032 |
| Journal | Machine Learning: Science and Technology |
| Volume | 7 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 27 Mar 2026 |
| MoE publication type | A1 Journal article-refereed |
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NAP4DIVE: Non-Animal Platform for Nanoparticle-Based Delivery Across the Blood-Brain Barrier Interface with Vehicle Evolution
Sahlgren, C. (Principal Investigator), Rosenholm, J. (Co-Principal Investigator), Zhang, H. (Co-Principal Investigator), Viitala, T. (Co-Principal Investigator), Lafond, S. (Co-Principal Investigator) & Baghirov, H. (Co-Investigator)
01/01/25 → 31/12/28
Project: EU
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EDISS: EMJMD Programme on the Engineering of Data-intensive Intelligent Software Systems
Lafond, S. (Principal Investigator), Azimi Rashti, S. (Principal Investigator), Lilius, J. (Co-Principal Investigator), Strömborg, M. (Coordinator) & Iancu, B. (Co-Investigator)
Education, Audiovisual and Culture Executive Agency - European Commission
01/09/20 → 31/08/26
Project: EU
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