公开(公告)号：US20230281443A1

公开(公告)日：2023-09-07

申请号：US18116170

申请日：2023-03-01

Applicant: Insilico Medicine IP Limited

Inventor： Ya-Chu Yang ,  Tzu-Lan Yeh ,  Yen-Chu Lin

IPC: G06N3/08 ,  G06N3/0442 ,  G16B15/00 ,  G16B40/20 ,  G06F40/40 ,  G06F40/126

CPC classification number: G06N3/08 ,  G06N3/0442 ,  G16B15/00 ,  G16B40/20 ,  G06F40/40 ,  G06F40/126

Abstract: In some aspects, the present disclosure describes a method of sampling a ligand. In some embodiments, the method comprises receiving a target descriptor. In some embodiments, the method comprises generating, in an engineered chemical space, a latent descriptor, based at least in part on the target descriptor. In some embodiments, the method comprises generating a ligand descriptor, based at least in part on the latent descriptor.