PCoAD: The Pharmaceutical Certificate of Analysis Dataset Based on LLMs Validation and Calibration

Yiming Xu, Zhaokang Huang, Haoran Yu, Fu Lee Wang, Tianyong Hao


Abstract
Artificial intelligence is now widely applied in drug discovery and development, accelerating the entry of novel pharmaceuticals into clinical practice. As the variety of drugs expands, the workload for pharmaceutical inspection has increased significantly, making the demand for automated verification of pharmaceutical inspection results increasingly urgent. However, current research lacks reliable evaluation methods and datasets. To address this issue, we construct a Pharmaceutical Certificate of Analysis Dataset (PCoAD) based on large language model validation and correction. This dataset comprises 4,272 manually verified pharmaceutical certificates of analysis (PCoAs) based on Chinese and U.S. pharmacopoeias, comprehensively testing the ability of model to verify pharmaceutical inspection processes. Based on PCoAD, we propose the Multi-Agent Cooperation based on Adaptive Retrieval (MACAR) framework. This framework employs text chunking, adaptive retrieval, and inference to validate PCoAs. Experimental results demonstrate that MACAR outperforms multiple state-of-the-art methods across various types of tasks.
Anthology ID:
2026.findings-emnlp.615
Volume:
Findings of the Association for Computational Linguistics: EMNLP 2026
Month:
October
Year:
2026
Address:
Budapest, Hungary
Editors:
Hung-Yi Lee, Sunipa Dev, Jessy Li, Desmond Elliott
Venue:
Findings
SIG:
SIGDAT
Publisher:
Association for Computational Linguistics
Note:
Pages:
12928–12958
Language:
URL:
https://aclanthology.org/2026.findings-emnlp.615/
DOI:
Bibkey:
Cite (ACL):
Yiming Xu, Zhaokang Huang, Haoran Yu, Fu Lee Wang, and Tianyong Hao. 2026. PCoAD: The Pharmaceutical Certificate of Analysis Dataset Based on LLMs Validation and Calibration. In Findings of the Association for Computational Linguistics: EMNLP 2026, pages 12928–12958, Budapest, Hungary. Association for Computational Linguistics.
Cite (Informal):
PCoAD: The Pharmaceutical Certificate of Analysis Dataset Based on LLMs Validation and Calibration (Xu et al., Findings 2026)
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PDF:
https://aclanthology.org/2026.findings-emnlp.615.pdf