Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization.

Fang, Lincan; Guo, Xiaomi; Todorovic, Milica; Rinke, Patrick; Chen, Xi

Fang, Lincan; Guo, Xiaomi; Todorovic, Milica; Rinke, Patrick; Chen, Xi.

Afiliação

Fang L; Department of Applied Physics, Aalto University, 00076AALTO, Finland.
Guo X; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084Beijing, China.
Todorovic M; Department of Mechanical and Materials Engineering, University of Turku, FI-20014Turku, Finland.
Rinke P; Department of Applied Physics, Aalto University, 00076AALTO, Finland.
Chen X; Department of Applied Physics, Aalto University, 00076AALTO, Finland.

J Chem Inf Model ; 63(3): 745-752, 2023 02 13.

Article em En | MEDLINE | ID: mdl-36642891

Assuntos

Cisteína; Metais; Conformação Molecular; Teorema de Bayes

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Cisteína / Metais 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 País de afiliação: Finlândia

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