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Updated: Jan 31, 2026

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不确定性意识预测195Pt化学转移从有限的数据

Alexander Meßler1, Hilke Bahmann1

  • 1Department of Physical and Theoretical Chemistry, University of Wuppertal, Gaussstr. 20, 42119 Wuppertal, Germany.

Journal of chemical information and modeling
|January 29, 2026
PubMed
概括

预测-195 (195Pt) 的NMR化学转移对于开发新的基药物和催化剂至关重要. 这项研究引入了高斯过程回归模型,以准确预测这些变化,提高了表征效率.

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