公开(公告)号：US10957419B2

公开(公告)日：2021-03-23

申请号：US15664960

申请日：2017-07-31

Applicant: SAMSUNG ELECTRONICS CO., LTD.

Inventor： Jiho Yoo ,  Seokho Kang ,  Youngchun Kwon ,  Kyung doc Kim ,  Jaikwang Shin ,  Hyosug Lee ,  Younsuk Choi

IPC: G16B15/00 ,  G06N20/00 ,  G16B40/00 ,  G06N5/04 ,  G06N3/04

Abstract: A structure-generating method for generating a structure candidate of a new material including: by a structure-generating processor: performing machine learning on a machine learning model, wherein the machine learning model is configured to provide a result based on a descriptor of a material, a physical property of the material, and a structure of the material; and generating a structure candidate of the new material based on the result of the machine learning, wherein the new material has a target physical property, and wherein the descriptor of the material, the physical property of the material, and the structure of the material are stored in a database.

公开(公告)号：US11581067B2

公开(公告)日：2023-02-14

申请号：US16156709

申请日：2018-10-10

Applicant: SAMSUNG ELECTRONICS CO., LTD. ,  RESEARCH & BUSINESS FOUNDATION SUNGKYUNKWAN UNIVERSITY

Inventor： Youngchun Kwon ,  Seokho Kang ,  Kyungdoc Kim ,  Jiho Yoo ,  Younsuk Choi

IPC: G16C20/40 ,  G06N3/04 ,  G06N3/08 ,  G16C20/80 ,  G16C20/50 ,  G16C20/70 ,  G16C20/00 ,  G06N3/06 ,  G16C99/00 ,  G06N3/02 ,  G16C60/00 ,  G16B15/00 ,  G01N37/00 ,  G16C20/20 ,  G16C20/30 ,  G06N3/12 ,  G06N3/126

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.

公开(公告)号：US11854672B2

公开(公告)日：2023-12-26

申请号：US16897456

申请日：2020-06-10

Applicant: SAMSUNG ELECTRONICS CO., LTD. ,  RESEARCH & BUSINESS FOUNDATION SUNGKYUNKWAN UNIVERSITY

Inventor： Youngchun Kwon ,  Seokho Kang ,  Won-joon Son ,  Dongseon Lee ,  Younsuk Choi

IPC: G05B19/4155 ,  G16C60/00 ,  G16C20/70 ,  G16C20/10 ,  G16C20/20

CPC classification number: G16C60/00 ,  G16C20/10 ,  G16C20/20 ,  G16C20/70

Abstract: A method and apparatus for generating a new chemical structure using a chemical structure generation model are provided. The method includes receiving a first descriptor of a first chemical structure, encoding the first descriptor into a latent variable using an encoder of the chemical structure generation model, generating a second descriptor by decoding the latent variable using a decoder of the chemical structure generation model, generating the second chemical structure corresponding to the second descriptor.

公开(公告)号：US10944063B2

公开(公告)日：2021-03-09

申请号：US16057929

申请日：2018-08-08

Applicant: Samsung Electronics Co., Ltd. ,  Samsung SDI Co., Ltd.

Inventor： Dmitry Kravchuk ,  Wook Kim ,  Juhyun Kim ,  Changho Noh ,  Sangho Park ,  Satoko Ishibe ,  Seokho Kang ,  Inkoo Kim ,  Jiho Yoo ,  Dongseon Lee ,  Hasup Lee ,  Jun Chwae

IPC: H01L51/00 ,  C07F15/00 ,  H01L51/50

Abstract: An organometallic compound represented by Formula 1: wherein, in Formula 1, groups and variables are the same as described in the specification.