公开(公告)号：US20250140336A1

公开(公告)日：2025-05-01

申请号：US18687883

申请日：2022-06-10

Applicant: AIcloud Co., Ltd. ,  POSTECH RESEARCH AND BUSINESS DEVELOPMENT FOUNDATION

Inventor： Toohyon CHO ,  Chan Kyu PARK ,  Dongwoo KIM ,  Jaeseung HEO ,  Jungwoo SON ,  Hwanjo YU

IPC: G16B15/30 ,  G06N3/042 ,  G06N3/045 ,  G16B40/20

Abstract: The present disclosure relates to a system and method for discovering candidate materials for treatment.
According to an embodiment, the system for discovering candidate materials for treatment includes a prediction system that inputs first graph data of a target protein and second graph data of the candidate materials to a prediction model and determines whether the candidate materials are candidate materials for treatment of the target protein based on an output value output from the prediction model in response to the first and second graph data, in which the prediction model may be a graph neural networks (GNN)-based model for predicting presence or absence of binding between the target protein and the candidate material.