Predicting potentially hazardous chemical reactions using an explainable neural network.

Kim, Juhwan; Gu, Geun Ho; Noh, Juhwan; Kim, Seongun; Gim, Suji; Choi, Jaesik; Jung, Yousung.

Afiliação

Kim J; Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST) Daejeon 34141 Republic of Korea ysjn@kaist.ac.kr.
Gu GH; Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST) Daejeon 34141 Republic of Korea ysjn@kaist.ac.kr.
Noh J; Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST) Daejeon 34141 Republic of Korea ysjn@kaist.ac.kr.
Kim S; Graduate School of Artificial Intelligence KAIST Daejeon: 291 Daehak-ro, N24, Yuseong-gu Daejeon 34141 Republic of Korea jaesik.choi@kaist.ac.kr.
Gim S; Environment & Safety Research Center, Samsung Electronics Co. 1, Samsungjeonja-ro Hwasung-si Gyeonggi-do Republic of Korea.
Choi J; Graduate School of Artificial Intelligence KAIST Daejeon: 291 Daehak-ro, N24, Yuseong-gu Daejeon 34141 Republic of Korea jaesik.choi@kaist.ac.kr.
Jung Y; Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST) Daejeon 34141 Republic of Korea ysjn@kaist.ac.kr.

Chem Sci ; 12(33): 11028-11037, 2021 Aug 25.

Article em En | MEDLINE | ID: mdl-34522300

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article