Method of analyzing, forecasting and optimizing drug functions by utilizing component quantification and visualization
A drug and functional technology, applied in the field of bioinformatics and pharmaceutical research and development, can solve problems such as mutual generation or mutual inhibition, time-consuming and laborious drug research work, and blindness in drug research.
Active Publication Date: 2012-11-28
北京端点医药研究开发有限公司
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Problems solved by technology
However, due to the complex interactions between substances such as mutual generation or mutual restraint, once the amount of a certain component in the drug changes, the above-mentioned research process needs to be restarted. Therefore, drug research is a very time-consuming and laborious task.
For the initial determination of the components of the drug and the ratio between the components, because it is only based on experience, it sometimes leads to blindness in drug research
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[0048] The present invention is described in detail below in conjunction with accompanying drawing:
[0049] Taking Jinlong Capsule, an existing compound drug, as an example, a specific embodiment of the method for predicting and optimizing drug function provided by the present invention by using component quantification and visual analysis is introduced.
[0050] S1, establish a tree-type storage structure, the tree-type storage structure includes a root node, a first-level sub-node, a second-level sub-node, and a third-level sub-node; wherein, the first-level sub-node is the direct sub-node of the root node, the second-level sub-node is the direct sub-node of the first-level sub-node, and the third-level sub-node is the second-level sub-node the direct child nodes of the node;
[0051] The first layer of sub-nodes is used to store disease codes corresponding to various types of disease classifications; wherein, the disease codes can be represented by DC;
[0052] The secon...
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The invention provides a method of analyzing, forecasting and optimizing drug functions by utilizing component quantification and visualization, and the method comprises the following steps of: S1, establishing a tree-shaped storage structure; S2, obtaining a sub-network mapping graph of each component of a special drug M; S3, carrying out correlation on every two sub-network mapping graphs to obtain a total network mapping graph; S4, calculating mapping coefficients of x components; and S5, forecasting the drug functions of each component which can be exerted under a special mass ratio according to each mapping coefficient of each component. According to the method provided by the invention, component quantification and graph visualization are combined, and the mapping coefficients of a single matter or a multi-component matter can be calculated by a formula supplied by the method; the drug functions of the matter are intuitively analyzed, forecasted and optimized by quantifying comprehensive drug function information and mutual relevance of the matter by the mapping coefficients; and the effectiveness and reliability of the mapping coefficients are verified through a clinical experiment, so that a new thought is supplied for drug research.
Description
technical field [0001] The invention belongs to the technical field of biological information and medical research and development, and in particular relates to a method for predicting and optimizing drug functions by using component quantification and visual analysis. Background technique [0002] At present, in the field of pharmaceutical research and development, the research methods for the efficacy of multi-component drugs are mainly: determine the components and the ratio between components based on experience, and then conduct multiple animal tests on the drug; apply it to clinical practice after successful animal tests According to the results of clinical trials, the efficacy of the drug is determined. However, due to the complex interaction between substances such as mutual generation or mutual inhibition, once the amount of a certain component in the drug changes, the above-mentioned research process needs to be restarted. Therefore, the research work on drugs is a...
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Inventor 杨晔宏黄卉
Owner 北京端点医药研究开发有限公司