Table 1.

The values of selected descriptors for 44 molecules.

N°	ae	ɣ	TE	HBD	SE	TD	Log10IC50
2	41.05	40.3	12.9136	1	2.609	11	0.47712126
3	43.9	43.9	12.833	1	3.43	11	1.61278386
4	43.9	43.9	12.2837	1	3.7251	11	0.77815125
5	41.96	44.6	10.5041	1	3.3398	11	1.96378783
6	43.87	50.9	5.8562	1	3.5148	10	0
7	43.11	54.3	10.9678	1	3.5012	10	0.77815125
8	44.29	57.7	10.6827	1	3.31	10	0.47712126
10	43.05	49.2	13.6092	1	3.581	10	2.69372695
11	43.82	51.6	16.8366	1	3.7574	10	2.67577834
12	42.28	53.7	12.0135	1	3.2349	10	1.87506126
13	43.11	54.3	15.9864	1	3.5181	10	2.90794852
14	43.87	50.9	12.0765	1	3.6081	10	1.36172784
15	43.11	54.3	15.211	1	3.5393	10	1.65321251
17	45.28	46.3	11.4242	1	4.1245	10	0.77815125
18	46.55	43.3	11.1295	1	4.5556	11	2.53147892
19	45.81	43.2	11.5098	1	4.5198	11	2.71096312
20	46.95	45.7	12.3354	1	3.7527	11	0.95424251
21	45.81	43.2	11.5767	1	3.7965	11	1.462398
22	46.55	43.3	12.3649	1	4.0183	12	2.24797327
23	45.81	43.2	11.5647	1	3.7752	12	3.23121465
24	46.55	43.3	12.3272	1	3.9781	13	3.24526584
25	41.5	38.4	18.5378	1	3.5883	11	3.52659771
26	40.85	43.8	14.1068	1	3.3294	11	1.8920946
29	43.14	46.6	17.5352	1	3.5318	11	2.95616843
30	42.67	45.3	11.6496	1	3.2701	10	0
31	43.05	49.2	15.9695	1	3.5677	10	0
33	52.92	45	13.4879	1	3.9397	14	2.97589114
34	41.86	48.5	7.3285	2	2.3774	10	0.47712126
37	45.11	46	10.9824	1	3.3677	10	0
38	44.35	48.9	16.6401	1	3.3293	10	1
40	39.53	51.1	7.6774	2	2.2337	10	1.76342799
41	38.77	54.5	13.3491	2	2.2124	10	1.65321251
42	40.15	49.3	8.3209	1	3.3316	10	0.84509804
43	41.98	47.7	10.8208	1	3.622	10	0.47712126
44	38.2	52.2	5.2114	2	2.8062	10	2.22530928
1 *	45.25	41.3	39.2347	1	2.6809	13	1.56820172
9 *	43.81	46.2	10.3084	1	3.6309	10	0
16 *	43.6	55.2	8.802	2	3.3159	10	0.90308999
27 *	43.14	46.6	18.0072	1	3.6639	11	1.25527251
28 *	43.14	46.6	18.0105	1	3.682	11	2.32428246
32 *	53.84	50.1	58.0893	1	5.1759	14	0
35 *	41.48	47.3	9.0526	1	2.9116	10	0.47712126
36 *	43.31	45.9	9.4978	1	3.0768	10	0.60205999
39 *	44.32	54.8	9.9783	1	2.9	10	0.30103

* indicates test set molecules.