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Optimización bayesiana para sistemas supramoleculares multicomponentes

Stef A H Jansen, Albert J Markvoort, Freek V de Graaf

  • 1Institute for Molecules and Materials, Radboud University, 6500 GL Nijmegen, The Netherlands.

Journal of the American Chemical Society
|September 4, 2025
PubMed
Resumen

Este estudio introduce la optimización bayesiana para el diseño de sistemas moleculares multicomponentes. Este enfoque basado en datos acelera el descubrimiento de nuevos polímeros supramoleculares con las propiedades deseadas, reduciendo el esfuerzo experimental.

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