Table 4.

Representative MOE descriptors in model M1, with corresponding average values for actives and inactives in Train1

MOE descriptors	Weight	Average (Actives)	Average (Inactives)
SlogP_VSA2	7.77	66.96	21.89
SlogP_VSA8	6.01	45.64	8.34
b_rotR	4.85	0.33	0.16
opr_nrot	4.57	8.30	3.79
PEOE_VSA+4	4.55	3.97	1.35
SlogP_VSA7	−4.71	96.10	151.05
SlogP_VSA1	−4.59	23.98	42.98
opr_nring	−4.08	2.05	3.30
b_ar	−3.90	9.79	15.34
opr_brigid	−3.48	12.00	18.32