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Title:
METHOD AND APPARATUS FOR PREDICTING PROPERTIES OF DRUG MOLECULE, STORAGE MEDIUM, AND COMPUTER DEVICE
Document Type and Number:
WIPO Patent Application WO/2023/168810
Kind Code:
A1
Abstract:
The present application discloses a method and apparatus for predicting the properties of a drug molecule, a storage medium, and a computer device, and relates to the technical fields of artificial intelligence and digital medical treatment. The method comprises: acquiring a drug molecule to undergo prediction, and performing mode conversion on the molecular structure of the drug molecule, obtaining a multimodal drug molecule structure, said multimodal drug molecule structure comprising a drug molecule sequence, a drug molecule map, a drug molecule image, and a drug molecule fingerprint; by means of a pre-trained multimodal feature extraction model, performing feature extraction on the multimodal drug molecule structure, obtaining a multimodal drug molecule feature vector; converting the multimodal drug molecule feature vector into a multimodal high-dimensional feature vector, and performing feature fusion on the multimodal high-dimensional feature vector, obtaining a fused feature vector of the drug molecule; and inputting the fused feature vector of the drug molecule into a pre-trained drug molecule property prediction model, obtaining a property prediction result of the drug molecule.

Inventors:
WANG JUN (CN)
GAO PENG (CN)
SUN NING (CN)
XIE GUOTONG (CN)
Application Number:
PCT/CN2022/089687
Publication Date:
September 14, 2023
Filing Date:
April 27, 2022
Export Citation:
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Assignee:
PING AN TECH SHENZHEN CO LTD (CN)
International Classes:
G16C20/20; G16C20/50; G16C20/70; G06N3/04
Domestic Patent References:
WO2022022173A12022-02-03
WO2020243440A12020-12-03
WO2019231624A22019-12-05
Foreign References:
CN115240781A2022-10-25
CN114530211A2022-05-24
Attorney, Agent or Firm:
BEIJING STRONG WISDOM INTELLECTUAL PROPERTY AGENCY LTD. (CN)
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