Dataset for "Photophysics of HBI-based Probes: An Interpretable Machine Learning and DFT-Integrated Framework for Data-Driven Discovery of Structure–Property Relationships"

In this dataset, the files contains the set of code and data necessary to replicate the results in the article "Photophysics of HBI-based Probes: An Interpretable Machine Learning and DFT-Integrated Framework for Data-Driven Discovery of Structure–Property Relationships" .本数据集包含复现论文《基于HBI的探针的光物理性质：面向数据驱动发现结构-性能关系的可解释机器学习（Interpretable Machine Learning）与集成密度泛函理论（Density Functional Theory，DFT）框架》中研究结果所需的全套代码与数据集。