Table 4.

Predicted binding energy by MLR regression and actual binding energy from molecular docking.

Sample	Predicted binding energy (kcal/mol)	Actual binding energy (kcal/mol)	%RE
L2	−9.25	−9.70	−1.75
L5	−8.96	−9.30	−1.31
L11	−8.95	−9.10	−0.54
L13	−9.07	−9.10	−0.09
L17	−8.71	−8.90	−0.73
L25	−9.16	−8.80	1.42
L26	−9.15	−8.80	1.38
L29	−8.98	−8.70	1.11
L7	−9.13	−9.10	0.13
L14	−8.82	−8.90	−0.28
RMS%RE			1.61