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Medicine component analysis method and system

A component analysis and drug technology, applied in the field of digital medicine, can solve the problem of poor drug component analysis accuracy, and achieve the effect of accurate drug molecular structure

Active Publication Date: 2022-03-22
武汉宏韧生物医药股份有限公司
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  • Abstract
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  • Claims
  • Application Information

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Problems solved by technology

[0003] The main purpose of the present invention is to provide a drug component analysis method and system, aiming to solve the problem of poor accuracy of drug component analysis in existing drug component analysis methods

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  • Medicine component analysis method and system
  • Medicine component analysis method and system

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Embodiment Construction

[0068] The following will clearly and completely describe the technical solutions in the embodiments of the present invention with reference to the accompanying drawings in the embodiments of the present invention. Obviously, the described embodiments are only part of the embodiments of the present invention, not all of them. Based on the embodiments of the present invention, all other embodiments obtained by persons of ordinary skill in the art without creative efforts fall within the protection scope of the present invention.

[0069] It should be noted that all directional indications (such as up, down, left, right, front, rear, etc.) If the positional relationship, movement conditions, etc. change, the directional indication will also change accordingly, and the connection may be a direct connection or an indirect connection.

[0070] The term "and / or" in this article is just an association relationship describing associated objects, which means that there can be three rel...

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Abstract

The invention provides a drug component analysis method and system.The method comprises the steps that a target protein, a to-be-detected target drug and an organ profile diagram with the target protein are obtained, the organ profile diagram is processed to obtain a prediction map of the space structure of the target drug, and the prediction map is used for predicting the space structure of the target drug; and predicting the molecular structure of the targeted drug based on the functional group of the targeted drug. The method has the beneficial effects that the spatial structure of the target protein in the organ profile diagram is obtained by obtaining the target protein, the target drug and the corresponding organ profile diagram, and then the molecular structure of the target drug is predicted based on the spatial structure of the target protein and the chromatogram of the target drug; the spatial structure of the medicine components is predicted and analyzed, so that the molecular structure of the obtained medicine is more accurate.

Description

technical field [0001] The invention relates to the field of digital medical care, in particular to a method and system for analyzing drug components. Background technique [0002] Drug discovery is the process of identifying new candidate compounds with potential therapeutic effects, and the prediction of drug-target interactions (DTI) between drug molecules and target proteins is an essential step in the drug discovery process. However, the efficacy of drug molecules depends on their affinity for the target protein or receptor. A drug molecule without any interaction or affinity for the target protein will not be able to provide a therapeutic response. For some drug components that are determined to have curative effects, the analysis method is mainly through simple chromatograms and hydrogen spectra. However, this analysis method is difficult to analyze the spatial structure of drug components, which makes it impossible to analyze the drug components precise identificat...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16B15/30G16B40/00G16C20/20G16C20/50G16C20/70G06T7/13G06T7/62G06T7/64G06T5/00G01N33/15G01N30/86
CPCG16B15/30G16B40/00G16C20/20G16C20/50G16C20/70G06T7/13G06T7/62G06T7/64G01N33/15G01N30/8696G06T2207/10056G06T2207/20081G06T5/70
Inventor 张杨陈桂英庄炜平姜宏梁
Owner 武汉宏韧生物医药股份有限公司
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