We have used the PaDEL package for calculation of Fingerprints. For more information regarding the fingerprints calculated, please visit the PaDEL hompage. Download the fingerprints information in Excel file

Description of fields: 1)Fingerprint Description: It describes the type of fingerprints with its number e.g.MACCSFP99: The 99th MACCS fingerprint. 2)Padel Fingeprint number: It describes the PaDEL fingerprint number. 3) MCC = Matthews correlation coefficient 4) FPR = False positive rate

Fingerprint Description	Padel Fingeprint number	Sensitivity	Specificity	Accuracy	MCC	FPR	ROC
Result	Search:
ExtFP1011	2035	93	24.2	56.31	0.23	0.23	0.59
ExtFP1012	2036	78.4	61.9	69.61	0.41	0.47	0.7
ExtFP1013	2037	52.5	85.7	70.19	0.41	0.65	0.69
ExtFP1015	2039	70.7	61.5	65.77	0.32	0.5	0.66
ExtFP1016	2040	42	88.7	66.91	0.35	0.71	0.65
ExtFP1017	2041	23.2	95.9	62.02	0.28	0.83	0.6
ExtFP102	1126	36.3	83.1	61.25	0.22	0.72	0.6
ExtFP138	1162	35.2	85.6	62.13	0.24	0.74	0.6
ExtFP160	1184	31	86.9	60.83	0.22	0.76	0.59
ExtFP161	1185	37.4	84	62.28	0.24	0.72	0.61
ExtFP187	1211	35.1	86.1	62.29	0.25	0.74	0.61
ExtFP193	1217	31.4	87.2	61.16	0.23	0.76	0.59
ExtFP221	1245	30	89.3	61.67	0.24	0.77	0.6
ExtFP238	1262	30.2	87.6	60.8	0.22	0.77	0.59
ExtFP283	1307	26.2	92.1	61.36	0.25	0.8	0.59
ExtFP292	1316	36.1	85.4	62.43	0.25	0.73	0.61
ExtFP299	1323	28.4	90.1	61.31	0.24	0.78	0.59
ExtFP302	1326	43.6	82.3	64.25	0.28	0.68	0.63
ExtFP331	1355	44.1	81.5	64.07	0.28	0.68	0.63
ExtFP340	1364	31.8	89	62.33	0.26	0.76	0.6
ExtFP350	1374	47.6	74.6	62	0.23	0.64	0.61
ExtFP369	1393	43.7	78	62.05	0.23	0.67	0.61
ExtFP386	1410	33.3	86.3	61.58	0.23	0.75	0.6
ExtFP391	1415	31.3	87.3	61.2	0.23	0.76	0.59
ExtFP399	1423	31.5	86.9	61.04	0.22	0.76	0.59
ExtFP405	1429	40.8	81.3	62.42	0.24	0.7	0.61
ExtFP408	1432	45.1	75.9	61.52	0.22	0.66	0.6
ExtFP409	1433	42.6	79.2	62.16	0.24	0.68	0.61
ExtFP416	1440	38	82.7	61.87	0.23	0.71	0.6
ExtFP424	1448	61.3	63.3	62.37	0.25	0.54	0.62
ExtFP441	1465	46.3	78.1	63.27	0.26	0.66	0.62
ExtFP511	1535	29.7	89.7	61.74	0.25	0.78	0.6
ExtFP530	1554	34.7	84.3	61.18	0.22	0.74	0.6
ExtFP591	1615	42.6	78.8	61.89	0.23	0.68	0.61
ExtFP597	1621	35.8	84.5	61.77	0.23	0.73	0.6
ExtFP611	1635	50	72.3	61.89	0.23	0.62	0.61
ExtFP634	1658	33	86	61.27	0.23	0.75	0.59
ExtFP652	1676	54.6	68.5	62.01	0.23	0.59	0.62
ExtFP659	1683	29.4	89.1	61.27	0.23	0.78	0.59
ExtFP724	1748	50.1	76.8	64.34	0.28	0.64	0.63
ExtFP752	1776	40.3	79.9	61.41	0.22	0.69	0.6
ExtFP76	1100	56.5	67.2	62.21	0.24	0.58	0.62
ExtFP766	1790	39.8	83.2	63	0.26	0.71	0.62
ExtFP80	1104	33.1	86.4	61.52	0.23	0.75	0.6
ExtFP883	1907	33.3	85.3	61.05	0.22	0.75	0.59
ExtFP920	1944	26.8	92	61.62	0.25	0.8	0.59
ExtFP95	1119	27.1	90	60.64	0.22	0.79	0.59
ExtFP968	1992	43.9	81.1	63.71	0.27	0.68	0.62
FP1015	1015	49.8	73	62.19	0.23	0.63	0.61
FP130	130	28.6	89.3	60.99	0.23	0.78	0.59