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Traditional Chinese medicine (TCM) active ingredient forecasting method excavated on the basis of pathway modes

A technology of active ingredient and pattern mining, applied in testing pharmaceutical preparations, material inspection products, etc., can solve problems such as limited limitations, lack of computational models, difficulty in structural information, etc., and achieve the effect of reliable data

Active Publication Date: 2012-12-26
INST OF AUTOMATION CHINESE ACAD OF SCI
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Problems solved by technology

However, it is difficult to obtain structural information of all components of traditional Chinese medicine, which limits the limitation of this model
The second category of computational models relates the biological activity of a complex system to the composition of the system, however, there is still a lack of accurate computational models to quantify this relationship

Method used

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  • Traditional Chinese medicine (TCM) active ingredient forecasting method excavated on the basis of pathway modes
  • Traditional Chinese medicine (TCM) active ingredient forecasting method excavated on the basis of pathway modes
  • Traditional Chinese medicine (TCM) active ingredient forecasting method excavated on the basis of pathway modes

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Embodiment Construction

[0039] In order to make the objectives, technical solutions and advantages of the present invention clearer, the present invention will be further described in detail below in conjunction with specific embodiments and with reference to the accompanying drawings.

[0040] The present invention uses the mapping sequence of compound-gene-biological pathways to associate the component compound data of traditional Chinese medicine with biological pathway data, conduct data mining on the biological pathway data, and extract the pathway pattern as a description of the pathology of the disease treated by traditional Chinese medicine. The pathway pattern is Standards are used to quantify the importance of genes and the activity of compounds to screen out the active ingredients of traditional Chinese medicine.

[0041] figure 1 It is a flowchart of a method for predicting active ingredients of traditional Chinese medicine based on path pattern mining according to the present invention. Such...

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Abstract

The invention discloses a traditional Chinese medicine (TCM) active ingredient forecasting method excavated on the basis of pathway modes. The traditional Chinese medicine active ingredient forecasting method includes the following steps of collecting data of compound ingredients with Chinese Academy of Sciences (CAS) registry numbers in TCM, collecting associated genes of compounds to form compound-gene associated pairs and sorting the genes according to occurrence frequency of the associated genes to form an associated gene list, setting a threshold value to screen frequent genes to form biological pathway data sets and enable each frequent gene to correspond to one biological pathway data record, excavating the pathway modes for the biological pathway data sets, grading the frequency genes, grading activity of the compounds, and setting threshold values for scores of the genes and scores of the activity of the compounds. The compound-gene associated pairs are screened according to the threshold values. The remaining compounds are reserved. Consequently, active ingredients of the TCM can be forecasted.

Description

Technical field [0001] The invention relates to the application field of the computer field in the study of active ingredients of traditional Chinese medicines, in particular to a method for predicting active ingredients of traditional Chinese medicines based on path pattern mining. Background technique [0002] Traditional Chinese medicine has a long history of development, and it has been passed down to this day through ancient records and experience. In recent years, more and more scholars at home and abroad have begun to pay attention to the research of Chinese medicine. In order to study the mechanism of action of Chinese medicine, it is first necessary to clarify the material basis of Chinese medicine. There are many ingredients in traditional Chinese medicine, and the mechanism of action between the ingredients is complicated, and multiple ingredients often act synergistically on multiple gene targets. Finding out the active ingredients of traditional Chinese medicine is...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N33/15
Inventor 卢朋代文高一波陈琳刘西宋江龙陈迪温伟娜
Owner INST OF AUTOMATION CHINESE ACAD OF SCI
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