The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Aug. 25, 2026

Filed:

May. 26, 2021
Applicant:

Insilico Medicine Ip Limited, Hong Kong, HK;

Inventors:

Maksim Kuznetsov, Moscow, RU;

Daniil Polykovskiy, Moscow, RU;

Aleksandrs Zavoronkovs, Pak Shek Kok, HK;

Assignee:
Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G06F 30/27 (2020.01); G16C 20/50 (2019.01); G16C 20/70 (2019.01); G16C 20/80 (2019.01);
U.S. Cl.
CPC ...
G16C 20/50 (2019.02); G06F 30/27 (2020.01); G16C 20/70 (2019.02); G16C 20/80 (2019.02);
Abstract

A computing method for normalizing molecule graph data for hierarchical molecular generation can include: providing molecule graph data of a molecule having a node; recursively splitting the node into two nodes; iteratively recursively spilling other nodes into two nodes; generating generated molecular graph data of a generated molecule from node splitting; and providing a report with the generated molecular graph. A computing method can include: providing molecule graph data into a latent code generator having multiple levels with a forward and inverse; and generating latent codes by processing molecule graph data through multiple levels of operations, wherein each level of operations has a sequence of sublevels of operations in forward path and inverse path, wherein the sublevels of operations include node merging operation and node splitting operation; generating at least one molecular structure from latent codes; and outputting generate molecule graph data having the at least one molecular structure.


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