TABLE 3

Summary of LIE models for training and test compounds

See text for detail.

Model	Parameters			RMS Error
Model	α	β	γ	Training	Test
				kJ/mol
1	0.510	0.034		6.0	7.8
2	0.218	0.020	−20.58	3.7	2.2
3	0.208		−20.70	3.7	2.1
4	0.698	0.500		11.6	7.8
5	0.503	0		6.0	7.4
6	0.196	0.014	−21.81	3.1