Title:
DETERMINATION METHOD AND APPARATUS FOR MOLECULAR DESIGN SCHEME, DEVICE, AND STORAGE MEDIUM
Document Type and Number:
WIPO Patent Application WO/2023/102923
Kind Code:
A1
Abstract:
Disclosed in the present invention are a determination method and apparatus for a molecular design scheme, a device, and a storage medium. The determination method comprises: obtaining a target molecule to be designed; calculating a molecular descriptor of the target molecule; determining distances between the target molecule and preset molecules in a pre-constructed target chemical space according to the molecular descriptor of the target molecule; determining a candidate molecule from the preset molecules according to the distances between the target molecule and the preset molecules; obtaining a design scheme of the candidate molecule; and determining a design scheme of the target molecule according to the design scheme of the candidate molecule. The present invention solves the technical problem in the prior art that efficient, convenient and low-cost screening for reasonable experimental schemes and parameters according to the actual requirements cannot be achieved.
Inventors:
YUAN JIUCHUANG (CN)
ZENG QUN (CN)
JIN YINGDI (CN)
ZENG QUN (CN)
JIN YINGDI (CN)
Application Number:
PCT/CN2021/137223
Publication Date:
June 15, 2023
Filing Date:
December 10, 2021
Export Citation:
Assignee:
SHENZHEN JINGTAI TECH CO LTD (CN)
International Classes:
G16C20/50; G16C20/90
Domestic Patent References:
| WO2018234718A1 | 2018-12-27 | |||
| WO2003019183A1 | 2003-03-06 |
Foreign References:
| CN113764054A | 2021-12-07 | |||
| CN112201313A | 2021-01-08 | |||
| CN112309510A | 2021-02-02 |
Attorney, Agent or Firm:
KANGXIN PARTNERS, P.C. (CN)
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