An integrated machine learning framework for TCM five-flavor classification based on E-tongue profiling and SHAP analysis.

IF 7.4 3区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE
Ziang Li, Xianglong Meng, Lin Yang, Xiaoning Yan, Liangting Li, Yiwei Fu, Jingjing Tang, Shuosheng Zhang
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引用次数: 0

Abstract

Background: The "five-flavor" (wu wei) classification is a core organizing principle in Traditional Chinese Medicine (TCM) pharmacology and quality control, yet its assessment still relies on subjective organoleptic evaluation, limiting standardization and reproducibility.

Methods: Eighty-four processed herbal slices were analyzed using an electronic tongue to obtain multichannel sensor response profiles. Based on these data, we developed a dual-strategy ensemble learning framework in which a heterogeneous stacking model was trained for five-flavor identification while a voting ensemble was established in parallel for intensity grading. Model interpretability was evaluated using SHapley Additive exPlanations (SHAP) to quantify feature contributions and to relate prediction outcomes to specific electrochemical response patterns.

Results: On the independent test set, the stacking ensemble showed moderate and flavor-dependent classification performance, with a macro-AUC of 0.876 and a balanced accuracy of 0.629. Discriminative performance was higher for Bitter and Sweet than for Sour, Salty, and Pungent. Full-stack SHAP analysis further identified P_13 and P_8 as the most influential features overall, with P_13 contributing mainly to the discrimination of bitter and pungent attributes, whereas P_8 was more strongly associated with sour, salty, and sweet characterization.

Conclusions: This study demonstrates a data-driven workflow for digitizing TCM five-flavor assessment. Further validation with expanded sample sizes and chemical corroboration of sensor attributions is needed before operational deployment.

基于e舌分析和SHAP分析的中医五味分类集成机器学习框架。
背景:“五味”分类是中药药理学和质量控制的核心组织原则,但其评价仍依赖主观感官评价,标准化和可重复性受限。方法:采用电子舌法对84片中药饮片进行分析,获得多通道传感器响应谱。基于这些数据,我们开发了一个双策略集成学习框架,其中异质堆叠模型用于五味识别,同时并行建立投票集成用于强度分级。使用SHapley加性解释(SHAP)来评估模型的可解释性,以量化特征贡献,并将预测结果与特定的电化学响应模式联系起来。结果:在独立测试集上,堆叠集成的分类性能适中,与风味相关,宏观auc为0.876,平衡精度为0.629。苦味和甜味的辨别能力高于酸、咸和辛辣。全栈SHAP分析进一步发现,P_13和P_8是总体上影响最大的特征,P_13主要对苦味和辛辣属性的区分有贡献,而P_8对酸、咸、甜特征的影响更大。结论:本研究展示了一种数据驱动的中医五味评估数字化工作流程。在操作部署之前,需要进一步验证扩大的样本量和传感器属性的化学确证。
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来源期刊
Chinese Medicine
Chinese Medicine INTEGRATIVE & COMPLEMENTARY MEDICINE-PHARMACOLOGY & PHARMACY
CiteScore
7.90
自引率
4.10%
发文量
133
审稿时长
31 weeks
期刊介绍: Chinese Medicine is an open access, online journal publishing evidence-based, scientifically justified, and ethical research into all aspects of Chinese medicine. Areas of interest include recent advances in herbal medicine, clinical nutrition, clinical diagnosis, acupuncture, pharmaceutics, biomedical sciences, epidemiology, education, informatics, sociology, and psychology that are relevant and significant to Chinese medicine. Examples of research approaches include biomedical experimentation, high-throughput technology, clinical trials, systematic reviews, meta-analysis, sampled surveys, simulation, data curation, statistics, omics, translational medicine, and integrative methodologies. Chinese Medicine is a credible channel to communicate unbiased scientific data, information, and knowledge in Chinese medicine among researchers, clinicians, academics, and students in Chinese medicine and other scientific disciplines of medicine.
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