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TaLiRAGen: target-aware ligand generation via retrieval-augmented large language models

Xiaofei Nan1, Xing You2, Xuezhen Liu2

  • 1School of Computer Science and Artificial Intelligence, Zhengzhou University, Zhengzhou, 450001, China. iexfnan@zzu.edu.cn.

Molecular Diversity
|February 22, 2026
PubMed
Abstract

No abstract available in PubMed .

Keywords:
Chain-of-thought reasoningConstrained ligand generationEvidence-theoretic normalizationRetrieval-augmented generationStructure-based drug design

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