在中国传统医学中用可解释图形神经网络量化兼容性机制
Jingqi Zeng1, Xiaobin Jia1,2
1School of Traditional Chinese Pharmacy, China Pharmaceutical University, Nanjing, 211198, China.
Journal of pharmaceutical analysis
|September 2, 2025
概括
这项研究引入了GraphAI框架,以了解传统中医药 (TCM) 的配方机制. 它确定了Radix Astragali-Rhizoma Phragmitis作为长期COVID-19管理的一个有希望的对.
科学领域:
- 计算生物学
- 药理学
- 医学中的人工智能
背景情况:
- 传统中国医学 (TCM) 涉及草药配方中的复杂相互作用.
- 现有的方法难以完全量化多组件,多目标和多路径机制.
- 需要可解释的框架来分析TCM的兼容性.
研究的目的:
- 开发和验证可解释的图形人工智能 (GraphAI) 框架,用于量化TCM草药配方机制.
- 构建一个多维的TCM知识图 (TCM-MKG) 集成不同的数据模块.
- 确定潜在的治疗草药对和生物活性化合物治疗COVID-19等疾病.
主要方法:
- 构建一个具有七个模块的多维TCM知识图 (TCM-MKG).
- 应用邻居扩散策略来增强复合目标关联.
- 使用带有注意力机制的图形神经网络 (GNN) 和虚拟节点进行可解释的中药公式 (CHF) 建模.
主要成果:
- 该框架成功量化了经典的TCM兼容性作用和发现的病因类型.
- 一个邻居传播策略将复合目标覆盖率从12.0%提高到98.7%.
- 雷迪克斯·阿斯特拉加利-瑞佐玛·弗拉格米蒂斯被确定为COVID-19管理的高度关注的草药对,具有长期COVID-19的潜力.
结论:
- 开发的GraphAI框架为TCM研究提供了一个可扩展和可解释的平台.
- 来自Radix Astragali-Rhizoma Phragmitis的活性化合物显示出神经免疫和解毒作用的潜力.
- 这种方法有助于发现生物活性植物成分及其治疗用途.
更多相关视频
08:15Author Spotlight: Network Pharmacology and Molecular Docking to Decipher the Action of Jiawei Shengjiang San Against Diabetic Kidney Disease
Published on: May 10, 2024
653
08:15Network Pharmacology and Validation of the Antidepressant Mechanisms of Qiangzhifang in a Chronic Restraint Stress-induced Depression Rat Model
Published on: June 6, 2025
174
相关概念视频
01:37Neural Regulation
34.8K
Digestion begins with a cephalic phase that prepares the digestive system to receive food. When our brain processes visual or olfactory information about food, it triggers impulses in the cranial nerves innervating the salivary glands and stomach to prepare for food.
34.8K
01:28Neuronal Communication
5.5K
Neurons, the fundamental units of the brain and nervous system, communicate through complex electrochemical signals that underpin all cognitive and bodily functions. This communication is primarily facilitated by a process involving the generation and propagation of an action potential along the axon of the neuron. When the internal electrical charge of a neuron surpasses a certain threshold, an action potential is triggered. This rapid change in voltage travels swiftly along the axon to the...
5.5K
01:01Neuroplasticity
2.6K
Neuroplasticity reflects the brain's remarkable capacity to adapt and evolve, responding dynamically to learning, experiences, or injury by reorganizing its neural circuitry. This reorganization involves creating new neural connections and refining old ones through a series of biological processes that contribute to the brain's lifelong development and adaptability.
2.6K