Title:
MOLECULAR STRUCTURE ACQUIRING METHOD, APPARATUS, ELECTRONIC DEVICE, AND STORAGE MEDIUM
Document Type and Number:
Japanese Patent JP2023007366
Kind Code:
A
Abstract:
To provide a molecular structure acquisition method, an apparatus, an electronic device, and a storage medium which reduce an implementation cost and improve processing efficiency or the like.SOLUTION: A molecular structure acquisition method includes: a step 101 of performing, for an initial seed, first processing; a step 102 of generating M molecular structures from the seed, M being a positive integer greater than one; a step 103 of taking the M molecular structures as molecular structures to be selected, and selecting some molecular structures from the molecular structures to be selected as child molecular structures; and a step 104 of performing evolutionary learning on the child molecular structures, taking the child molecular structures after the evolutionary learning as the seed, and repeatedly executing the first processing until convergence reaches an optimization objective, and when the convergence reaches the optimization objective, a newly selected molecular structure is taken as a desired molecular structure.SELECTED DRAWING: Figure 1
Inventors:
CHEN ZHIYUAN
FANG XIAOMIN
WANG FAN
FANG XIAOMIN
WANG FAN
Application Number:
JP2022031687A
Publication Date:
January 18, 2023
Filing Date:
March 02, 2022
Export Citation:
Assignee:
BEIJING BAIDU NETCOM SCIENCE & TECNOLOGY CO LTD
International Classes:
G16C20/70; G06N99/00
Attorney, Agent or Firm:
Patent Attorney Corporation RYUKA International Patent Office