Table 4.

Weights attributed to each physicochemical descriptor at the individual hidden-layer neurons.

Neuron	MW	aLogP	HBA	HBD	RB	HAC	RC	PSA	E-state	MR	Polar
1	0.51	1.94	0.90	3.34	0.73	0.46	−0.27	−0.28	−0.34	0.99	0.59
2	2.77	−3.96	−2.61	−0.11	−0.23	2.98	−2.21	−2.82	1.04	2.39	3.68
3	−1.42	1.79	0.49	2.12	−0.33	−0.20	2.44	1.55	−0.28	−1.07	−0.60
4	0.59	0.06	0.07	1.05	0.14	0.29	0.44	0.31	0.25	0.06	0.76
5	1.39	−4.91	−6.71	−0.28	−0.79	3.33	4.58	1.08	−0.20	4.85	5.49
6	0.55	2.75	0.94	3.22	−2.00	−0.55	0.66	−5.24	−3.30	1.49	−0.76
7	1.60	3.78	5.40	2.38	−2.72	−2.20	−2.52	−0.14	0.92	−1.10	−2.80

Note: MW = molecular weight; aLogP = logarithm of the octanol-water partition coefficient; HBA = hydrogen bond acceptors; HBD = hydrogen bond donors; RB = number of rotatable bonds; HAC = heavy atom count; RC = ring count; PSA = polar surface area; E-state = electrotopological state; MR = molar refractivity; Polar = molecular polarizability.