TABLE III.

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

	VR-SCOSMO		SCOSMO		SCC-DFTBPRa
Type	MSE	MUE	MSE	MUE	MSE	MUE
Neutral	0.4	0.9	0.6	1.0	0.2	1.6
Anion	0.2	3.2	5.6	6.6	0.7	3.1
Cation	3.5	4.6	3.2	6.1	1.1	3.4
Cationb	0.0	1.6	−0.2	3.9	−1.4	1.8
Total	1.1	2.3	2.4	3.6	0.5	2.4

^aReference 20.

^b10 molecules. Excludes the compounds where the sum of bond orders around any oxygen is ≥3. This row is not included in the “total” statistics.