Comparison of FTIR spectrum with chemometric and machine learning classifying analysis for differentiating guan-mutong a nephrotoxic and carcinogenic traditional chinese medicine with chuan-mutong

2021 ◽  
Vol 163 ◽  
pp. 105835
Author(s):  
Chu Shan Tan ◽  
Shin Yee Leow ◽  
Chen Ying ◽  
Choo Jun Tan ◽  
Tiem Leong Yoon ◽  
...  
2015 ◽  
Vol 2015 ◽  
pp. 1-18 ◽  
Author(s):  
Changbo Zhao ◽  
Guo-Zheng Li ◽  
Chengjun Wang ◽  
Jinling Niu

As a complementary and alternative medicine in medical field, traditional Chinese medicine (TCM) has drawn great attention in the domestic field and overseas. In practice, TCM provides a quite distinct methodology to patient diagnosis and treatment compared to western medicine (WM). Syndrome (ZHENG or pattern) is differentiated by a set of symptoms and signs examined from an individual by four main diagnostic methods: inspection, auscultation and olfaction, interrogation, and palpation which reflects the pathological and physiological changes of disease occurrence and development. Patient classification is to divide patients into several classes based on different criteria. In this paper, from the machine learning perspective, a survey on patient classification issue will be summarized on three major aspects of TCM: sign classification, syndrome differentiation, and disease classification. With the consideration of different diagnostic data analyzed by different computational methods, we present the overview for four subfields of TCM diagnosis, respectively. For each subfield, we design a rectangular reference list with applications in the horizontal direction and machine learning algorithms in the longitudinal direction. According to the current development of objective TCM diagnosis for patient classification, a discussion of the research issues around machine learning techniques with applications to TCM diagnosis is given to facilitate the further research for TCM patient classification.


2019 ◽  
Vol 2019 ◽  
pp. 1-14
Author(s):  
Shilun Yang ◽  
Yanjia Shen ◽  
Wendan Lu ◽  
Yinglin Yang ◽  
Haigang Wang ◽  
...  

Xiaoxuming decoction (XXMD), a classic traditional Chinese medicine (TCM) prescription, has been used as a therapeutic in the treatment of stroke in clinical practice for over 1200 years. However, the pharmacological mechanisms of XXMD have not yet been elucidated. The purpose of this study was to develop neuroprotective models for identifying neuroprotective compounds in XXMD against hypoxia-induced and H2O2-induced brain cell damage. In this study, a phenotype-based classification method was designed by machine learning to identify neuroprotective compounds and to clarify the compatibility of XXMD components. Four different single classifiers (AB, kNN, CT, and RF) and molecular fingerprint descriptors were used to construct stacked naïve Bayesian models. Among them, the RF algorithm had a better performance with an average MCC value of 0.725±0.014 and 0.774±0.042 from 5-fold cross-validation and test set, respectively. The probability values calculated by four models were then integrated into a stacked Bayesian model. In total, two optimal models, s-NB-1-LPFP6 and s-NB-2-LPFP6, were obtained. The two validated optimal models revealed Matthews correlation coefficients (MCC) of 0.968 and 0.993 for 5-fold cross-validation and of 0.874 and 0.959 for the test set, respectively. Furthermore, the two models were used for virtual screening experiments to identify neuroprotective compounds in XXMD. Ten representative compounds with potential therapeutic effects against the two phenotypes were selected for further cell-based assays. Among the selected compounds, two compounds significantly inhibited H2O2-induced and Na2S2O4-induced neurotoxicity simultaneously. Together, our findings suggested that machine learning algorithms such as combination Bayesian models were feasible to predict neuroprotective compounds and to preliminarily demonstrate the pharmacological mechanisms of TCM.


2012 ◽  
Vol 2012 ◽  
pp. 1-14 ◽  
Author(s):  
Ratchadaporn Kanawong ◽  
Tayo Obafemi-Ajayi ◽  
Tao Ma ◽  
Dong Xu ◽  
Shao Li ◽  
...  

ZHENG, Traditional Chinese Medicine syndrome, is an integral and essential part of Traditional Chinese Medicine theory. It defines the theoretical abstraction of the symptom profiles of individual patients and thus, used as a guideline in disease classification in Chinese medicine. For example, patients suffering from gastritis may be classified as Cold or Hot ZHENG, whereas patients with different diseases may be classified under the same ZHENG. Tongue appearance is a valuable diagnostic tool for determining ZHENG in patients. In this paper, we explore new modalities for the clinical characterization of ZHENG using various supervised machine learning algorithms. We propose a novel-color-space-based feature set, which can be extracted from tongue images of clinical patients to build an automated ZHENG classification system. Given that Chinese medical practitioners usually observe the tongue color and coating to determine a ZHENG type and to diagnose different stomach disorders including gastritis, we propose using machine-learning techniques to establish the relationship between the tongue image features and ZHENG by learning through examples. The experimental results obtained over a set of 263 gastritis patients, most of whom suffering Cold Zheng or Hot ZHENG, and a control group of 48 healthy volunteers demonstrate an excellent performance of our proposed system.


2021 ◽  
Vol 2021 ◽  
pp. 1-12
Author(s):  
Jia-Ming Huan ◽  
Wen-Ge Su ◽  
Wei Li ◽  
Chao Gao ◽  
Peng Zhou ◽  
...  

Hypertensive nephropathy is a common complication of hypertension. Traditional Chinese medicine has been used in the clinical treatment of hypertensive nephropathy for a long time, but the commonly used prescriptions have not been summarized, and the basic therapeutic approaches have not been discussed. Based on data from 3 years of electronic medical records of traditional Chinese medicine used at the Affiliated Hospital of Shandong University of Traditional Chinese Medicine, a complex network and machine learning algorithm was used to explore the prescribed herbs of traditional Chinese medicine in the treatment of hypertensive nephropathy (HN). In this study, complex network algorithms were used to describe traditional Chinese medicine prescriptions for HN treatment. The Apriori algorithm was used to analyze the compatibility of these treatments with modern medicine. Data on the targets and regulatory genes related to hypertensive nephropathy and the herbs that affect their expression were obtained from public databases, and then, the signaling pathways enriched with these genes were identified on the basis of their participation in biological processes. A clustering algorithm was used to analyze the therapeutic pathways at multiple levels. A total of 1499 prescriptions of traditional Chinese medicines used for the treatment of hypertensive renal damage were identified. Fourteen herbs used to treat hypertensive nephropathy act through different biological pathways: huangqi, danshen, dangshen, fuling, baizhu, danggui, chenpi, banxia, gancao, qumai, cheqianzi, ezhu, qianshi, and niuxi. We found the formulae of these herbs and observed that they could downregulate the expression of inflammatory cytokines such as TNF, IL1B, and IL6 and the NF-κB and MAPK signaling pathways to reduce the renal inflammatory damage caused by excessive activation of RAAS. In addition, these herbs could facilitate the deceleration in the decline of renal function and relieve the symptoms of hypertensive nephropathy. In this study, the traditional Chinese medicine approach for treating hypertensive renal damage is summarized and effective treatment prescriptions were identified and analyzed. Data mining technology provided a feasible method for the collation and extraction of traditional Chinese medicine prescription data and provided an objective and reliable tool for use in determining the TCM treatments of hypertensive nephropathy.


2020 ◽  
Author(s):  
yuqi tang ◽  
Dongdong Yang ◽  
Zechen Li ◽  
Yu Fang ◽  
Shanshan Gao

Abstract Background: Insomnia as one of the dominant diseases of traditional Chinese medicine (TCM) has been extensively studied in recent years. To explore the novel approaches of research on TCM diagnosis and treatment, this paper presents a strategy for the research of insomnia based on machine learning. Methods: First of all, 654 insomnia cases have been collected from an experienced doctor of TCM as sample data. Secondly, in the light of the characteristics of TCM diagnosis and treatment, the contents of research samples have been divided into four parts: the basic information, the four diagnostic methods, the treatment based on syndrome differentiation and the main prescription. And then, these four parts have been analyzed by three analysis methods, including frequency analysis, association rules and hierarchical cluster analysis. Finally, a comprehensive study of the whole four parts has been conducted by random forest. Results: Researches of the above four parts revealed some essential connections. Simultaneously, based on the algorithm model established by the random forest, the accuracy of predicting the main prescription by the combination of the four diagnostic methods and the treatment based on syndrome differentiation was 0.85. Furthermore, having been extracted features through applying the random forest, the syndrome differentiation of five zang-organs was proven to be the most significant parameter of the TCM diagnosis and treatment.Conclusions: The results indicate that the machine learning methods are worthy of being adopted to study the dominant diseases of TCM for exploring the crucial rules of the diagnosis and treatment.


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