Table 2.

Out-of-sample predictions for element splits.

		ML-PCM/COSMO-RS(B3LYP)		ML-PCM/COSMO-RS(DSD-PBEP86)
Element	Nr. Samples	MUE (element included)	MUE (element excluded)	MUE (element included)	MUE (element excluded)
N	611	0.25549	0.40139	0.25486	0.37139
F	81	0.29188	0.38812	0.32345	0.48087
P	62	0.12927	0.64773	0.20648	0.95936
S	91	0.26592	0.50868	0.29104	0.53079
Cl	174	0.25295	0.5194	0.17956	0.47383
Br	102	0.25005	1.4559	0.26268	0.91972