公开(公告)号：US20230238085A1

公开(公告)日：2023-07-27

申请号：US17868417

申请日：2022-07-19

申请人： SAMSUNG ELECTRONICS CO., LTD. ,  La Corporation de l’École des Hautes Études Commerciales de Montréal

发明人： MiYoung Jang ,  HWIDONG NA ,  Jian Tang ,  SANGHYUN YOO ,  HOSHIK LEE

IPC分类号： G16C20/30 ,  G16C20/10 ,  G16C20/70

CPC分类号： G16C20/30 ,  G16C20/10 ,  G16C20/70

摘要： Provided is a method and apparatus for determining a molecular conformation. The method of determining a molecular conformation includes generating candidate conformations based on one or more artificial neural network (ANN)-based conformation generative model that is based on an artificial neural network (ANN), comparing energy values between the candidate conformations by inputting the candidate conformations to an ANN-based conformation selecting model, and determining a final conformation based on a result of the comparing.