[关键词]
[摘要]
数据融合(data fusion)技术是对多来源的数据信息进行统筹、集成的技术,以提高决策模型的灵敏度、特异性和准确率。数据融合技术结合多变量模型是研究中药复杂体系的有力工具,目前已应用于中药基原鉴别,中药产地溯源与鉴别,中药质量控制与评价,中药加工炮制与制剂研究,中药资源形成研究等诸多领域。融合所纳入的源数据主要是中药的化学物质信息,包括各类色谱、光谱信息,无机元素及有机成分的含量信息,电子鼻、电子眼、电子舌等传感器信息以及代谢组学信息等,所采用的多变量模型如主成分分析、层次聚类分析、偏最小二乘-判别分析、正交偏最小二乘-判别分析、支持向量机、人工神经网络、随机森林、决策树、线性判别分析等。未来,数据融合有望与人工智能(artificial intelligence,AI)相结合,源数据中纳入生物医学数据与组学数据,拓展应用于中药活性物质筛选、预测患者对药物反应、药物相互作用、药物-靶点相互作用、中药新药开发以及栽培种植等更多领域,同时应积极开发集数据融合与多变量建模功能于一体的中药研究相关软件系统。
[Key word]
[Abstract]
Data fusion is a technology that coordinates and integrates data information from multiple sources to improve the sensitivity, specificity and accuracy of decision models. Data fusion combined with multivariable model is a powerful tool to study the complex system of traditional Chinese medicine (TCM). It has been applied in many fields of TCM research, such as species identification research, origin tracing and identification research, quality control and evaluation research, processing and preparation research, and resources formation research. The source data included in data fusion are mainly chemical substance information of TCM, including various chromatographic and spectral information, content information of inorganic and organic components, sensor information such as e-nose, e-eye and e-tongue, and metabolomics information. The multivariate models used in these studies include principal component analysis (PCA), hierarchical cluster analysis (HCA), partial least squares - discriminant analysis (PLS-DA), orthogonal partial least squares - discriminant analysis (OPLS-DA), support vector machine (SVM), artificial neural network (ANN), random forests (RF), decision trees, linear discriminant analysis (LDA), etc.. In the future, data fusion is expected to be combined with artificial intelligence (AI), incorporate biomedical and omics data into source data, and be applied to more fields such as screening of active substances of TCM, prediction of patient's response to drug, drug-drug interaction, drug-target interaction, new drug development, and cultivation of TCM. At the same time, a software system for TCM research that integrates data fusion and multivariate modeling should be actively developed.
[中图分类号]
[基金项目]
甘肃省青年科技基金计划项目(21JR7RA634);甘肃省自然科学基金项目(20JR5RA154)