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. 2020 Aug 6;124(35):7199–7210. doi: 10.1021/acs.jpca.0c05310

Figure 7.

Figure 7

Geometric mean of the root-mean-square error (RMSEgeom, top) and its relative change (rRMSE, bottom) in the validation error of the ML models for each of 30 excitation energies and oscillator strengths of compound 2 as the function of the training set size.