fig2

Figure 2. (A) T50 model performance. Reprinted with permission from Zhuo et al.^[33], copyright 2020, American Chemical Society. (B) Predicted relative permittivity. (C) XGB model predicted centroid shift against experimentally measured centroid shift. (D) Feature importance of XGB model in terms of gain and coverage. Reprinted with permission from Zhuo et al.^[32], copyright 2020, AIP Publishing.