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Retrieval augmented large language model system for comprehensive drug contraindications.

Byeonghun Bang1, Jongsuk Yoon1, Dong-Jin Chang2

  • 1Department of Computer Engineering, Hongik University, Seoul, 04066 South Korea.

Health Information Science and Systems
|January 14, 2026
PubMed
Summary

This study enhances large language models (LLMs) for pharmaceutical contraindications using a Retrieval Augmented Generation (RAG) pipeline. The RAG approach significantly improved accuracy in identifying drug interactions, ensuring safer medication guidance.

Keywords:
Drug contraindicationLarge language modelsRetrieval augmented generation

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Area of Science:

  • Medical Informatics
  • Artificial Intelligence in Healthcare
  • Pharmacovigilance

Background:

  • Large language models (LLMs) show versatility but face challenges in healthcare, especially for critical data like pharmaceutical contraindications.
  • Accurate and reliable information on drug contraindications is essential for patient safety and effective healthcare.
  • Existing LLM applications require enhancement to reliably handle complex medical information, such as drug-drug interactions and patient-specific warnings.

Purpose of the Study:

  • To enhance the capability of LLMs in identifying pharmaceutical contraindications accurately.
  • To implement and evaluate a Retrieval Augmented Generation (RAG) pipeline for improved contraindication detection.
  • To reduce uncertainty in prescription and drug intake decisions through precise contraindication information.

Main Methods:

  • Utilized OpenAI's GPT-4o-mini as the base LLM and text-embedding-3-small for embeddings.
  • Integrated a hybrid retrieval system with re-ranking using the LangChain framework.
  • Leveraged Drug Utilization Review (DUR) data focusing on age, pregnancy, and concomitant drug use contraindications.

Main Results:

  • Baseline LLM accuracy for contraindications ranged from 0.49 to 0.57.
  • The RAG pipeline significantly improved accuracy to 0.94 (age), 0.87 (pregnancy), and 0.89 (concomitant use).
  • Demonstrated substantial reduction in uncertainty for prescription and drug intake decisions.

Conclusions:

  • Augmenting LLMs with a RAG framework substantially improves the accuracy of pharmaceutical contraindication information.
  • The developed RAG pipeline offers a promising solution for reliable drug safety information retrieval.
  • This approach can enhance clinical decision-making and patient safety in medication management.