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Updated: Jan 15, 2026

Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
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机器学习使用电子和结构描述器预测内部转换的速率常数

Rashid R Valiev1, Rinat T Nasibullin1, Dage Sundholm1

  • 1Department of Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55 (A.I. Virtanens plats 1), Helsinki FIN-00014, Finland.

The journal of physical chemistry letters
|October 7, 2025
PubMed
概括

机器学习模型使用分子描述器准确预测内部转换率常数 (k_IC). 这种方法绕过了计算密集的量子力学计算来确定光物理性质.

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