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GHP and GCN fused Chinese and western medicine relocation method and system and storage medium

A GHP-GCN, repositioning technology, applied in the fields of development and repositioning, Chinese and Western drug screening, can solve the problems of low efficiency and accuracy of drug repositioning, unable to fully reveal the new mechanism of action of drugs, and achieve low cost. The effect of high-efficiency interventions

Active Publication Date: 2022-03-25
HUNAN UNIV
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  • Description
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  • Application Information

AI Technical Summary

Problems solved by technology

It only builds the link between indications and drugs, and finally obtains the link correlation index based on the calculation of indication similarity and drug similarity to reposition the drug, but it still cannot fully reveal the new nature of the drug. The mechanism of action, the efficiency and accuracy of drug repositioning are not high; and it is mainly aimed at the repositioning of western medicines (compound drugs)

Method used

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  • GHP and GCN fused Chinese and western medicine relocation method and system and storage medium
  • GHP and GCN fused Chinese and western medicine relocation method and system and storage medium
  • GHP and GCN fused Chinese and western medicine relocation method and system and storage medium

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Embodiment 1

[0073] Such as figure 1 As shown, the present embodiment provides a method for repositioning Chinese and Western medicines fused with GHP and GCN, which is characterized in that it comprises the following steps:

[0074] S1. Multi-source multi-modal heterogeneous data collection: collect known drug data, disease data, target protein / gene data;

[0075] Optionally, known drug data, disease data, and target protein / gene data come from professional databases such as DrugBank, OMIM and GO annotations, and Fdataset. The data representation, data source, and data structure of multi-source multi-modal heterogeneous data are different. For example, drug data will include drug structure data, drug function data, etc.

[0076] S2. Construction of GHP-GCN Chinese and Western medicine repositioning model, the construction method is as follows:

[0077] S21. Global heterogeneous pharmacological network GHP construction: According to the collected data, each disease, drug, and target prot...

Embodiment 2

[0120] Such as Figure 4 As shown, the present embodiment provides a Chinese and Western medicine repositioning system 20 fused with GHP and GCN that adopts the Chinese and Western medicine repositioning method fused with GHP and GCN shown in the embodiment, including:

[0121] Multi-source multi-modal heterogeneous data collection module 21: used to collect known drug data, disease data, target protein / gene data;

[0122] The GHP-GCN Chinese and Western medicine repositioning model building block 22 is used to construct the GHP-GCN Chinese and Western medicine repositioning model, specifically including:

[0123] Global heterogeneous pharmacology network GHP building module 221: used to construct a global heterogeneous pharmacology network GHP based on the data collected by the multi-source and multi-modal heterogeneous data collection module 21, with each disease, drug, and target protein / gene as a node, To comprehensively represent a variety of nonlinear associations betwe...

Embodiment 3

[0132] An embodiment of the present invention provides a computer storage medium on which a computer program is stored, wherein when the computer program is executed by an executor, the following figure 1 Shown is the fusion of GHP and GCN for the repositioning of Chinese and Western medicines.

[0133] The computer-readable storage medium may include, but is not limited to, floppy disks, compact disks, CD-ROM (Compact Disk Read Only Memory), magneto-optical disks, ROM (Read Only Memory), RAM (Random Access Memory), EPROM (Erasable Programmable Read Only Memory), EEPROM (Electrically Erasable Programmable Read Only Memory), magnetic or optical card, flash memory, or other type of medium / machine-readable medium suitable for storing machine-executable instructions. The computer-readable storage medium may be a product not connected to a computer device, or a component connected to a computer device for use.

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Abstract

The invention discloses a GHP and GCN fused Chinese and western medicine relocation method and system and a storage medium. The relocation method comprises the following steps: collecting multi-source and multi-mode heterogeneous data; gHP-GCN Chinese and western medicine relocation model construction specifically comprises the steps of global heterogeneous pharmacological network GHP construction, global heterogeneous pharmacological network and graph convolutional neural network fusion to form a GHP-GCN model, and "monarch, minister, assistant and guide" and "node semantic neighbor" dual weighted constraint optimization of the GHP-GCN model; constructing a training set and learning and reasoning a GHP-GCN model; contribution degree calculation and result analysis; and verifying and optimizing a result. The method can be applied to Chinese and western medicine relocation research, can predict potential and new drug-target protein / gene, target protein / gene-disease and drug-disease association, identifies new drug targets and new disease-associated pathogenic genes, and discovers and confirms drugs having potential treatment effects on diseases and integration effects and synergistic mechanisms thereof. A scientific basis is provided for explaining the effectiveness of Chinese and western medicine treatment and drug discovery.

Description

technical field [0001] The invention relates to the technical field of screening, development and relocation of Chinese and Western medicines, in particular to a Chinese and Western medicine relocation method, system and storage medium that integrates a global heterogeneous pharmacological network GHP and a graph convolutional neural network GCN. Background technique [0002] New drug development is to find a suitable new drug for a certain protein target; drug repositioning is to conduct repositioning analysis based on existing drugs and find new uses of drugs. Compared with new drug development, drug repositioning has the advantages of reducing costs and speeding up the discovery of new drugs, and has gradually become a popular strategy in drug discovery. The current research strategy of drug repositioning is to divide the research objects into drug-based and disease-based under the guidance of the idea of ​​"similarity". That is, it is generally based on two directions. ...

Claims

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Application Information

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IPC IPC(8): G16C20/70G16C20/50G06K9/62G06N3/04G06N3/08
CPCG16C20/70G16C20/50G06N3/08G06N3/047G06N3/048G06N3/045G06F18/241G06F18/2415Y02A90/10
Inventor 金敏龚后武
Owner HUNAN UNIV
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