Target prediction method

A prediction method and target technology, applied in the field of computational biology, can solve the problems of long prediction time and poor prediction, and achieve the effect of short prediction time and high accuracy

Pending Publication Date: 2021-09-10
TIANYUN RONGCHUANG DATA TECH BEIJING CO LTD +1
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Problems solved by technology

[0006] The purpose of the embodiments of the present invention is to provide a drug-target relationship prediction method, which aims to solve the problem that the target prediction algorithm based on the traditional bipartite graph model is poor in predicting the unknown drug-target relationship, while the traditional logic matrix decomposition The problem that the target prediction algorithm takes a long time to predict

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Embodiment Construction

[0019] In order to make the object, technical solution and advantages of the present invention clearer, the implementation manner of the present invention will be further described in detail below in conjunction with the accompanying drawings. Apparently, the described embodiments are only some but not all of the embodiments of the present invention. All other embodiments obtained by persons of ordinary skill in the art based on the embodiments of the present invention without making creative efforts belong to the protection scope of the present invention.

[0020] Such as figure 1 As shown, the embodiment of the present invention provides a target prediction method, and its specific implementation process is as follows:

[0021] Step S1: a new calculation method for the drug similarity matrix and target similarity matrix, the calculation method includes calculating their Jaccard similarity for each drug molecule (the two-dimensional structure of the drug molecule is a vector...

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Abstract

The embodiment of the invention aims to provide a drug-target relation prediction method, and aims to solve the problems that in the prior art, target prediction by using machine learning is not high in accuracy, target prediction based on a graph model is poor in unknown drug-target relation prediction, and the prediction time is long. The invention provides a new similarity matrix of drugs, and between drugs and targets, and the similarity matrix is used to predict the relationship between the drugs and the targets. By utilizing the method, the target prediction accuracy can be improved, the time required for target prediction can be shortened, and the method has important significance on development of new drugs.

Description

technical field [0001] The invention relates to computational biology, in particular to a drug-target relationship prediction method. Background technique [0002] According to statistics, a new drug costs as much as 200-350 million US dollars from screening to successful marketing, and it takes an average of 10 to 14 years. Currently, the elimination rate of drug candidates in the clinical stage is as high as 90%. Among them, the discovery and confirmation of drug targets is a particularly complicated process, and confirmation of a simple drug target requires a huge cost of money and time. Therefore, how to reduce the cost of the process from discovery of drug targets to successful drug launch (R&D) and increase the speed of drug target discovery to clinical research has become the research focus of major pharmaceutical companies and academic institutions. [0003] An important link in the drug research process is the screening of new drugs, and the key to establishing a ...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/30G16C20/70
CPCG16C20/30G16C20/70
Inventor 谭可华林建平黄亚楼吕慧沈亚文
Owner TIANYUN RONGCHUANG DATA TECH BEIJING CO LTD
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