专利检索 ap:("Microsoft Technology Licensing, LLC") AND inv:"Bruno Kacper MLODOZENIEC" 第 1 页

1.

发明公开
TRAINED MACHINE LEARNING MODEL FOR FORECASTING MOLECULAR CONFORMATIONS 审中-公开

公开(公告)号：US20240249800A1

公开(公告)日：2024-07-25

申请号：US18179621

申请日：2023-03-07

申请人： Microsoft Technology Licensing, LLC

发明人： Leon Immanuel KLEIN , Yue Kwang FOONG , Tor Erlend FJELDE , Bruno Kacper MLODOZENIEC , Marc Manuel Johannes BROCKSCHMIDT , Reinhard Sebastian Bernhard NOWOZIN , Frank NOE , Ryota TOMIOKA

IPC分类号： G16C20/70 , G16C10/00

CPC分类号： G16C20/70 , G16C10/00

摘要： A computerized method for forecasting a future conformation of a molecular system based on a current conformation of the molecular system comprises (a) receiving the current conformation in a trained machine-learning model that has been previously trained to map a plurality of conformations received to a corresponding plurality of conformations proposed; (b) mapping the current conformation to a proposed conformation via the trained machine-learning model, wherein the proposed conformation is appended to a Markov chain; and (c) returning the proposed conformation as the future conformation.