Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining.

Wen, Mingjian; Blau, Samuel M; Xie, Xiaowei; Dwaraknath, Shyam; Persson, Kristin A

Wen, Mingjian; Blau, Samuel M; Xie, Xiaowei; Dwaraknath, Shyam; Persson, Kristin A.

Afiliación

Wen M; Energy Technologies Area, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA.
Blau SM; Energy Technologies Area, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA.
Xie X; College of Chemistry, University of California Berkeley CA 94720 USA.
Dwaraknath S; Materials Science Division, Lawrence Berkeley National Laboratory Berkeley CA 94720 USA.
Persson KA; Luxembourg Institute of Science and Technology Luxembourg.

Chem Sci ; 13(5): 1446-1458, 2022 Feb 02.

Article en En | MEDLINE | ID: mdl-35222929

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Chem Sci Año: 2022 Tipo del documento: Article

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