Design of New Inorganic Crystals with the Desired Composition Using Deep Learning.

Han, Seunghee; Lee, Jaewan; Han, Sehui; Moosavi, Seyed Mohamad; Kim, Jihan; Park, Changyoung

Han, Seunghee; Lee, Jaewan; Han, Sehui; Moosavi, Seyed Mohamad; Kim, Jihan; Park, Changyoung.

Afiliação

Han S; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea.
Lee J; LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea.
Han S; LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea.
Moosavi SM; Department of Chemical Engineering & Applied Chemistry, University of Toronto, Ontario M5S 3E5, Canada.
Kim J; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, Daejeon 34141, Republic of Korea.
Park C; LG AI Research, ISC, 30, Magokjungang 10-ro, Gangseogu, Seoul 07796, Republic of Korea.

J Chem Inf Model ; 63(18): 5755-5763, 2023 09 25.

Article em En | MEDLINE | ID: mdl-37683188

Assuntos

Aprendizado Profundo; Bases de Dados Factuais; Teoria da Densidade Funcional; Difusão; Aprendizado de Máquina

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Aprendizado Profundo Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article

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