TABLE II.

Absolute solvation energy training set error statistics (kcal/mol).

	VR-SCOSMO			SCOSMO
Type	MSE	MUE	RMSE	MSE	MUE	RMSE
Neutral	−0.0	1.4	1.9	0.4	1.2	1.7
Anion	0.8	2.5	3.0	3.9	5.6	6.3
Cation	1.4	2.8	4.3	0.7	4.6	5.7
Cationa	−0.1	1.5	1.9	−1.0	3.5	3.9
Total	0.2	1.6	2.4	0.8	2.0	3.0

^a12 molecules. Excludes the compounds where the sum of bond orders around any oxygen is ≥3. Not included in the “total” statistics.