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:
Feb. 14, 2023

Filed:

Oct. 10, 2018
Applicants:

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

Research & Business Foundation Sungkyunkwan University, Suwon-si, KR;

Inventors:

Youngchun Kwon, Yongin-si, KR;

Seokho Kang, Seoul, KR;

Kyungdoc Kim, Seoul, KR;

Jiho Yoo, Hwaseong-si, KR;

Younsuk Choi, Seongnam-si, KR;

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G16C 20/40 (2019.01); G06N 3/04 (2006.01); G06N 3/08 (2006.01); G16C 20/80 (2019.01); G16C 20/50 (2019.01); G16C 20/70 (2019.01); G16C 20/00 (2019.01); G06N 3/06 (2006.01); G16C 99/00 (2019.01); G06N 3/02 (2006.01); G16C 60/00 (2019.01); G16B 15/00 (2019.01); G01N 37/00 (2006.01); G16C 20/20 (2019.01); G16C 20/30 (2019.01); G06N 3/12 (2006.01); G06N 3/126 (2023.01);
U.S. Cl.
CPC ...
G16C 20/40 (2019.02); G06N 3/04 (2013.01); G06N 3/0445 (2013.01); G06N 3/0454 (2013.01); G06N 3/0472 (2013.01); G06N 3/06 (2013.01); G06N 3/08 (2013.01); G06N 3/126 (2013.01); G16C 20/00 (2019.02); G16C 20/50 (2019.02); G16C 20/70 (2019.02); G16C 20/80 (2019.02); G01N 37/00 (2013.01); G06N 3/02 (2013.01); G16B 15/00 (2019.02); G16C 20/20 (2019.02); G16C 20/30 (2019.02); G16C 60/00 (2019.02); G16C 99/00 (2019.02);
Abstract

A method of generating a chemical structure performed by a neural network device includes receiving a target property value and a target structure characteristic value; selecting first generation descriptors; generating second generation descriptors; determining, using a first neural network of the neural network device, property values of the second generation descriptors; determining, using a second neural network of the neural network device, structure characteristic values of the second generation descriptors; selecting, from the second generation descriptors, candidate descriptors that satisfy the target property value and the target structure characteristic value; and generating, using the second neural network of the neural network device, chemical structures for the selected candidate descriptors.


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