LKE-DTA:通过大型语言模型表示和知识图嵌入来预测药物标结合亲和力

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Published on: December 6, 2024

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Jielong Mou1, Yudong Yan1, Boren Jiang1

  • 1Chongqing Key Laboratory of Big Data for Bio Intelligence, School of Life Health Information Science and Engineering, Chongqing University of Posts and Telecommunications, Chongqing, China.

Molecular diversity
|November 12, 2025
PubMed
概括

新的深度学习模型LKE-DTA通过整合大型语言模型 (LLM) 和知识图 (KG) 来增强药物发现,以准确地预测药物标结合亲和力 (DTA). 这种方法显著提高了预测准确度和概括能力.

关键词:
结合亲和力预测的预测.药物目标结合亲缘关系双重多头注意力注意力知识图表知识图表大型语言模型.

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