Table 6.

Theoretical inhibition efficiencies of the studied thiosemicarbazides obtained from various models.

Inhibitor	C (M)	PM6 (%)	PM3 (%)	AM1 (%)	RM1 (%)	MNDO (%)
AP4PT	4 × 10−4	90.98	91.18	90.37	91.20	91.31
	8 × 10−4	95.27	95.39	94.94	95.40	95.46
	12 × 10−4	96.80	96.88	96.57	96.88	96.92
	16 × 10−4	97.58	97.64	97.40	97.64	97.68
	20 × 10−4	98.05	98.10	97.91	98.11	98.13
HP4PT	4 × 10−4	91.30	90.40	91.30	91.11	91.35
	8 × 10−4	95.45	94.96	95.45	95.34	95.48
	12 × 10−4	96.92	96.58	96.92	96.84	96.94
	16 × 10−4	97.67	97.41	97.67	97.61	97.68
	20 × 10−4	98.13	97.92	98.13	98.08	98.14
D4PT	4 × 10−4	91.28	90.39	91.28	91.07	91.32
	8 × 10−4	95.44	94.95	95.44	95.33	95.47
	12 × 10−4	96.91	96.58	96.92	96.83	96.93
	16 × 10−4	97.67	97.41	97.67	97.61	97.68
	20 × 10−4	98.13	97.92	98.13	98.08	98.14