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:
May. 12, 2026

Filed:

Dec. 08, 2020
Applicant:

Samsung Electronics Co., Ltd., Suwon-si, KR;

Inventors:

Youngchun Kwon, Yongin-si, KR;

Jiho Yoo, Hwaseong-si, KR;

Younsuk Choi, Seongnam-si, KR;

Youngmin Nam, Seoul, KR;

Minsik Park, Hwaseong-si, KR;

Jinwoo Park, Suwon-si, KR;

Dongseon Lee, Suwon-si, KR;

Assignee:
Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G16C 20/50 (2019.01); G06N 3/02 (2006.01); G06N 3/04 (2023.01); G06N 3/08 (2023.01); G16C 20/70 (2019.01);
U.S. Cl.
CPC ...
G16C 20/50 (2019.02); G06N 3/02 (2013.01); G06N 3/04 (2013.01); G06N 3/08 (2013.01); G16C 20/70 (2019.02);
Abstract

A neural network apparatus for generating a new chemical structure may receive a structure input of a chemical structure; generate, based on the structure input, a negative attention vector that indicates a respective probability of presence of each of a plurality of blacklists in the structure input; generate a structure expression by encoding the structure input; generate a final reverse blacklist vector that does not include the plurality of blacklists, based on the negative attention vector and the structure expression; and generate the new chemical structure by decoding the final reverse blacklist vector.


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