公开(公告)号：US20240038325A1

公开(公告)日：2024-02-01

申请号：US18122251

申请日：2023-03-16

Applicant: ZHEJIANG LAB

Inventor： Shang YU ,  Zhipeng ZHONG ,  Liang XU ,  Jianshun TANG ,  Yitao WANG

IPC: G16B15/30 ,  G16C10/00 ,  G06N10/20

CPC classification number: G16B15/30 ,  G16C10/00 ,  G06N10/20

Abstract: The application discloses a reverse virtual screening platform and method based on programmable quantum computing, the method includes the following steps: S1, for a given micromolecule and a target protein molecule, calculating a binding interaction graph of the given micromolecule and the target protein molecule on a computer according to different distances between pharmacophores; S2, encoding, according to an adjacency matrix of the binding interaction graph, the binding interaction graph into a quantum reverse virtual screening platform by decomposing the adjacency matrix; and S3, performing Gaussian boson sampling by the quantum reverse virtual screening platform. The reverse virtual screening platform and method based on programmable quantum computing provided by the present application are implemented by an optical quantum computer system based on a time domain.