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1. CN111081316 - Method and device for screening candidate drugs for COVID-19

Office China
Application Number 202010216192.5
Application Date 25.03.2020
Publication Number 111081316
Publication Date 28.04.2020
Publication Kind A
IPC
G16B 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
20ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
30Detection of binding sites or motifs
G16C 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
CPC
G16B 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
20ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
30Detection of binding sites or motifs
G16C 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
Applicants GENEIS TECHNOLOGY (BEIJING) CO., LTD.
元码基因科技(北京)股份有限公司
Inventors PENG LIHONG
彭利红
YANG JIALIANG
杨家亮
TIAN GENG
田埂
DONG RUYI
董如一
LU QINGQING
鹿晴晴
LANG JIDONG
郎继东
LIANG LEBIN
梁乐彬
Agents 北京北汇律师事务所 11711
Title
(EN) Method and device for screening candidate drugs for COVID-19
(ZH) 用于筛选新冠肺炎候选药物的方法及装置
Abstract
(EN)
The invention discloses a method and device for screening COVID-19 drugs. On the basis of obtaining sequence similarity information between viruses and structure similarity information between pharmaceutical chemical structures, a heterogeneous network based on virus sequence similarity and drug similarity is constructed, and training is performed on the constructed data set by using a random walkalgorithm so as to obtain a COVID-19 drug screening model. Based on the drug screening model, drugs related to new coronal pneumonia can be effectively screened. According to the method, the researchand development cost of the COVID-19 drugs can be reduced, and the screening speed and accuracy of the COVID-19 drugs exceed those of representative methods applied to other bioinformatics fields.

(ZH)
本发明公开用于筛选新冠肺炎药物的方法及装置。本发明在获得病毒之间的序列相似信息和药物化学结构之间的结构相似信息基础上,通过构建基于病毒序列相似性和药物相似性的异构网络,并利用随机游走算法在构建的数据集上进行训练从而得到新冠肺炎药物筛选模型。基于该药物筛选模型能有效地筛选与新冠肺炎相关的药物。本发明的方法能够降低新冠肺炎药物研发成本,而且在新冠肺炎药物筛选的速度和准确率上均超过应用于其他生物信息学领域的代表性方法。