Title:
METHOD AND APPARATUS FOR RECONSTRUCTING MOLECULAR STRUCTURE, AND DEVICE, STORAGE MEDIUM AND PROGRAM PRODUCT
Document Type and Number:
WIPO Patent Application WO/2022/188643
Kind Code:
A1
Abstract:
A method and apparatus for reconstructing a molecular structure, and a device, a storage medium and a program product, which relate to the field of machine learning. The method comprises: 101, acquiring structure data of a reference molecule; 102, performing structure splitting on the structure data of the reference molecule, so as to obtain group data of a molecular fragment group corresponding to the reference molecule; 103, performing feature processing on the group data of the molecular fragment group, so as to obtain candidate fragments for replacing shard fragments; and 104, generating structure data of a reconstructed molecule on the basis of the candidate fragments and a side chain fragment.
Inventors:
XU TINGYANG (CN)
HUANG JUNHONG (CN)
XU SHAOYONG (CN)
TIAN LI (CN)
CHEN XINDE (CN)
LIU WEI (CN)
HUANG JUNZHOU (CN)
XUE DING (CN)
YU YANG (CN)
HUANG JUNHONG (CN)
XU SHAOYONG (CN)
TIAN LI (CN)
CHEN XINDE (CN)
LIU WEI (CN)
HUANG JUNZHOU (CN)
XUE DING (CN)
YU YANG (CN)
Application Number:
PCT/CN2022/078182
Publication Date:
September 15, 2022
Filing Date:
February 28, 2022
Export Citation:
Assignee:
TENCENT TECH SHENZHEN CO LTD (CN)
International Classes:
G16C20/70; G16C20/50
Foreign References:
| US20130226549A1 | 2013-08-29 | |||
| CN112116963A | 2020-12-22 | |||
| US20010056329A1 | 2001-12-27 | |||
| CN111354424A | 2020-06-30 | |||
| CN109741798A | 2019-05-10 |
Attorney, Agent or Firm:
BEIJING SAN GAO YONG XIN INTELLECTUAL PROPERTY AGENCY CO., LTD. (CN)
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