Table 3: Pharmacophore generated hypothesis with their R² value.

Hypothesis	R2 Test Set	R2 Training Set	Hypothesis	R2 Test Set	R2 Training Set
AAARR1016	0.95	0.31	AAARR1386	0.76	0.86
AAARR1039	0.92	0.51	AAARR1657	0.67	0.39
AAARR.1145	1.00	0.98	AAARR1880	0.76	0.83
AAARR1253	1.36	0.69	AAARR1938	0.11	0.60
AAARR.1392	0.05	0.40	AAARR1984	0.76	0.68
AAARR2894	0.17	0.63	AAARR1991	0.48	0.64
AAARR3277	0.52	0.62	AAARR2954	0.80	0.82
AAARR3486	0.12	0.68	AAARR.2945	0.81	0.64
AAARR3933	0.28	0.67	AAARR3195	0.46	0.49
AAARR3848	0.21	0.53	AAARR3245	0.40	0.78
AAARR4725	0.44	0.69	AAARR3247	0.47	0.59
AAARR6353	0.71	0.6	AAARR3251	0.05	0.43
AAARR6445	0.00	0.42	AAARR3306	0.96	0.74
AAARR175	0.72	0.61	AAARR3330	0.31	0.54
AAARR268	0.63	0.76	AAARR3471	0.08	0.23
AAARR.556	0.21	0.55	AAARR3521	0.94	0.79
AAARR1052	0.15	0.58	AAARR3533	0.64	0.81
AAARR1100	0.20	0.55	AAARR4009	0.48	0.955
AAARR1181	0.74	0.64	AAARR4584	0.30	0.20
AAARR1193	0.91	0.89	AAARR4690	0.32	0.75
AAARR1234	0.39	0.72	AAARR4471	0.77	0.69
AAARR1242	0.69	0.72	AAARR6364	0.93	0.72
AAARR1294	0.13	0.75	AAARR6413	0.98	0.66
AAARR1302	0.18	0.75	AAARR6783	0.40	0.51
AAARR1357	0.86	0.68	AAARR6872	0.70	0.55