Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning.

Nandy, Aditya; Duan, Chenru; Taylor, Michael G; Liu, Fang; Steeves, Adam H; Kulik, Heather J

Nandy, Aditya; Duan, Chenru; Taylor, Michael G; Liu, Fang; Steeves, Adam H; Kulik, Heather J.

Afiliação

Nandy A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Duan C; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Taylor MG; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Liu F; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Steeves AH; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Kulik HJ; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

Chem Rev ; 121(16): 9927-10000, 2021 08 25.

Article em En | MEDLINE | ID: mdl-34260198

Assuntos

Complexos de Coordenação/química; Ensaios de Triagem em Larga Escala; Aprendizado de Máquina; Metais/química; Elementos de Transição/química

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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