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Chinese herbal medicinal ingredient and compound hepatotoxin evaluation system based on propelling decision-making tree

A compound and decision tree technology, applied in special data processing applications, instruments, electrical digital data processing, etc., to achieve reliable reference and guidance, accurate evaluation and prediction, and save money and time

Inactive Publication Date: 2015-02-11
SUZHOU NEUPHARMA
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  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

The liver toxicity prediction model built by Fourches et al. using the support vector machine method showed that its prediction accuracy for external data sets ranged from 55.7-72.6%, which was lower than that of the model built using decision trees.

Method used

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  • Chinese herbal medicinal ingredient and compound hepatotoxin evaluation system based on propelling decision-making tree
  • Chinese herbal medicinal ingredient and compound hepatotoxin evaluation system based on propelling decision-making tree

Examples

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Embodiment Construction

[0023] This example is about the embodiment of the system for evaluating and predicting the hepatotoxicity of traditional Chinese medicine ingredients and compounds of the present invention.

[0024]A system for evaluating and predicting liver toxicity of Chinese medicinal ingredients and compounds of the present invention includes:

[0025] (1) input module, used to input and / or retrieve the chemical structure of traditional Chinese medicine ingredients and compounds, and respond to various operations of users; (2) output module, used to display calculation process information and output prediction results; ( 3) Storage module, used to store, read and manage computer program files, Chinese medicine ingredients and compound structure files, activity data files, configuration files, temporary files and historical files; (4) Chinese medicine ingredients and compound structure database: used to store and management of various names and 2-dimensional structure data of Chinese medi...

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Abstract

The invention discloses an evaluation and prediction method of Chinese herbal medicinal ingredient and compound hepatotoxin. The method comprises the following steps: firstly, determining chemical structures of Chinese herbal medicinal ingredient and compound to be evaluated according to Chinese herbal medicinal ingredient and compound databases or Chinese herbal medicinal ingredient and compound construction tools, and secondly, performing hepatotoxin toxicity evaluation through a Chinese herbal medicinal ingredient and compound hepatotoxin prediction model based on a propelling decision-making tree algorithm built in a system according to the chemical structures of the Chinese herbal medicinal ingredient and compound of traditional Chinese medicine to be evaluated, and finally obtaining an evaluation and prediction conclusion.

Description

technical field [0001] The invention relates to a computer-aided liver toxicity evaluation method of traditional Chinese medicine components and compounds and a system thereof. Background technique [0002] As an organ of vertebrates (including humans), the liver is an organ that mainly performs metabolic functions in the body, and plays a role in the body in detoxification, storage of glycogen (glycogen), secretory protein synthesis, and so on. In the process of drug development and use, drug hepatotoxicity is one of the main reasons for the failure of new drug development or withdrawal from the market. Therefore, the hepatotoxicity evaluation method in the early stage of drug development has been paid more and more attention by major pharmaceutical companies. In China, the use of traditional Chinese medicine is the main way to treat diseases. However, more and more traditional Chinese medicines have been reported and confirmed to have hepatotoxic activity, which seriously...

Claims

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Application Information

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IPC IPC(8): G06F19/00
Inventor 朱永亮叶立王新洲叶祖光金若敏姚广涛刘敬阁钱向平
Owner SUZHOU NEUPHARMA