Table 4. Accuracy of ΔG_pol Estimated by CHA–GB and GB Based on Their Respective Optimal Atomic Radii (Table 3)^a.

	small molecules		amino acid analogs		proteins
	GB	CHA–GB	GB	CHA–GB	GB	CHA–GB
rmse	1.24	0.88	1.26	0.81	10.24	8.95
⟨err⟩	–0.53	–0.37	0.24	0.09	–6.12	–2.80
⟨|err|⟩	0.93	0.63	0.90	0.64	7.79	7.63
r2	0.86	0.93	0.998	0.999	0.99	0.99
%(|err| > 2kBT)	30.6	14.9	25.0	16.7	84.2	89.5
rmse worst 5%	3.20	2.55	4.14	2.11	25.53	16.20

^aThe accuracy is assessed relative to explicit solvent (TIP3P) ΔG_pol (kcal/mol): root mean square error (rmse), mean error (⟨err⟩), mean absolute error ⟨|err|⟩, r² correlation, percentage of molecules with absolute error >2k_BT, and rmse of the 5% molecules with largest |err|.