Title:
MEDICINE SCREENING METHOD AND APPARATUS AND ELECTRONIC DEVICE
Document Type and Number:
WIPO Patent Application WO/2022/017405
Kind Code:
A1
Abstract:
A medicine screening method and apparatus, an electronic device, and a computer readable storage medium. The method comprises: determining structural characteristics of protein molecules and structural characteristics of target molecules (302); on the basis of a node information transfer sub-network in a medicine screening model, the structural characteristics of the protein molecules and the structural characteristics of the target molecules, obtaining jointed node characteristics corresponding to the protein molecules and the target molecules, the node information transfer sub-network being a graph neural network (303); and according to the jointed node characteristics, predicting a first activity predicted value after the protein molecules and the target molecules are bound (304).
Inventors:
XU TINGYANG (CN)
ZHANG JIYING (CN)
YE FEI (CN)
RONG YU (CN)
HUANG JUNZHOU (CN)
ZHANG JIYING (CN)
YE FEI (CN)
RONG YU (CN)
HUANG JUNZHOU (CN)
Application Number:
PCT/CN2021/107509
Publication Date:
January 27, 2022
Filing Date:
July 21, 2021
Export Citation:
Assignee:
TENCENT TECH SHENZHEN CO LTD (CN)
International Classes:
G16B20/00; G16B40/00; G16B50/30; G16C20/50
Domestic Patent References:
| WO2018220368A1 | 2018-12-06 |
Foreign References:
| CN111816252A | 2020-10-23 | |||
| CN112151128A | 2020-12-29 | |||
| US20190272468A1 | 2019-09-05 | |||
| CN104350141A | 2015-02-11 |
Attorney, Agent or Firm:
CHINA PAT INTELLECTUAL PROPERTY OFFICE (CN)
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