Protein property prediction method and device based on multi-dimensional characteristics and computing equipment

A computing device, multi-dimensional feature technology, used in proteomics, analysis of two-dimensional or three-dimensional molecular structure, genomics, etc. The problem of single feature extraction is to improve the screening efficiency and accuracy, reduce the amount of feature calculation and model calculation, and accelerate the research and development process.

Pending Publication Date: 2020-09-04
北京晶泰科技有限公司
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Problems solved by technology

However, the current protein feature extraction is relatively simple, and there is a lack of general tools that can extract proteins from multiple angles, which greatly limits the machine learning modeling of biological macromolecules

Method used

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  • Protein property prediction method and device based on multi-dimensional characteristics and computing equipment
  • Protein property prediction method and device based on multi-dimensional characteristics and computing equipment
  • Protein property prediction method and device based on multi-dimensional characteristics and computing equipment

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Embodiment Construction

[0029] Exemplary embodiments of the present disclosure will be described in more detail below with reference to the accompanying drawings. Although exemplary embodiments of the present disclosure are shown in the drawings, it should be understood that the present disclosure may be embodied in various forms and should not be limited by the embodiments set forth herein. Rather, these embodiments are provided for more thorough understanding of the present disclosure and to fully convey the scope of the present disclosure to those skilled in the art.

[0030] figure 1 is a block diagram of a computing device 100 according to one embodiment of the invention. In a basic configuration 102 , computing device 100 typically includes system memory 106 and one or more processors 104 . A memory bus 108 may be used for communication between the processor 104 and the system memory 106 .

[0031] Depending on the desired configuration, processor 104 may be any type of processing including,...

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Abstract

The invention discloses a protein property prediction method based on multi-dimensional characteristics, which is executed in computing equipment. The computing equipment includes a protein property prediction model having an input of assembled protein characteristics and an output of predicted protein properties. The method comprises the following steps: obtaining sequence data and structure dataof the to-be-detected protein; respectively extracting amino acid sequence characteristics, specified residue characteristics and three-dimensional structure chart characteristics of the protein to be detected, wherein the amino acid sequence characteristics represent amino acid composition and physicochemical properties, the specified residue characteristics include self attributes and environment attributes of specified residues, and the three-dimensional structure diagram characteristics include residue node attributes and edge attributes; and assembling the extracted three features into protein features, and processing the protein features by adopting a protein property prediction model to obtain the prediction property of the protein to be detected. The invention further discloses acorresponding protein property prediction device based on the multi-dimensional characteristics and computing equipment.

Description

technical field [0001] The invention relates to the field of drug virtual screening, in particular to a protein property prediction method, device and computing equipment based on multidimensional features. Background technique [0002] As we all know, drug research and development is a long process, which has the dilemma of long research and development cycle, low rate of research and development results, and high research and development costs. With the update of computer technology and the development of big data technology, artificial intelligence is playing a huge application value in all walks of life, and it has also received extensive attention in the pharmaceutical industry. In the process of new drug discovery, virtual screening can increase the enrichment of active molecules. By predicting the properties of compounds, it can save a lot of manpower and material resources, shorten the drug development cycle, and accelerate the transformation of research results. The...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16B20/00G16B35/00G16B15/20
CPCG16B20/00G16B35/00G16B15/20
Inventor 王天元翟珂黄健张琳赖力鹏温书豪马健
Owner 北京晶泰科技有限公司
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