Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization.

Müller, Max; Hagg, Alexander; Strickstrock, Robin; Hülsmann, Marco; Asteroth, Alexander; Kirschner, Karl N; Reith, Dirk

Müller, Max; Hagg, Alexander; Strickstrock, Robin; Hülsmann, Marco; Asteroth, Alexander; Kirschner, Karl N; Reith, Dirk.

Afiliación

Müller M; Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Hagg A; Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Strickstrock R; Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Hülsmann M; Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Asteroth A; Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Kirschner KN; Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.
Reith D; Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, 53757 Sankt Augustin, Germany.

J Chem Inf Model ; 63(7): 1872-1881, 2023 04 10.

Article en En | MEDLINE | ID: mdl-36942658

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Inf Model Asunto de la revista: INFORMATICA MEDICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Alemania

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