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:
PubchemFP12	3330	79.3	65.1	71.69	0.45	0.48	0.72
ExtFP1013	2037	52.5	85.7	70.19	0.41	0.65	0.69
ExtFP1012	2036	78.4	61.9	69.61	0.41	0.47	0.7
PubchemFP192	3510	58.4	79.4	69.6	0.39	0.61	0.69
GraphFP382	2509	73.3	63.8	68.27	0.37	0.5	0.69
ExtFP1016	2040	42	88.7	66.91	0.35	0.71	0.65
PubchemFP199	3517	28.1	95.4	64.01	0.32	0.8	0.62
ExtFP1015	2039	70.7	61.5	65.77	0.32	0.5	0.66
MACCSFP105	3256	70.1	60.6	64.98	0.31	0.5	0.65
FP799	799	34.7	89.6	64.01	0.29	0.75	0.62
PubchemFP189	3507	63.2	66.4	64.87	0.29	0.55	0.65
GraphFP522	2649	48.3	78.9	64.61	0.29	0.65	0.64
FP860	860	33.1	89.8	63.38	0.28	0.76	0.61
PubchemFP696	4014	70.2	57.8	63.59	0.28	0.49	0.64
GraphFP520	2647	79.6	46.7	62.03	0.28	0.4	0.63
FP225	225	33.3	89.3	63.22	0.28	0.75	0.61
FP204	204	38.5	85.6	63.64	0.28	0.72	0.62
ExtFP1017	2041	23.2	95.9	62.02	0.28	0.83	0.6
ExtFP724	1748	50.1	76.8	64.34	0.28	0.64	0.63
ExtFP331	1355	44.1	81.5	64.07	0.28	0.68	0.63
ExtFP302	1326	43.6	82.3	64.25	0.28	0.68	0.63
GraphFP534	2661	51.6	74.5	63.81	0.27	0.62	0.63
ExtFP968	1992	43.9	81.1	63.71	0.27	0.68	0.62
FP952	952	33.6	88.1	62.65	0.26	0.75	0.61
FP851	851	39.1	84.2	63.17	0.26	0.71	0.62
FP475	475	54.7	71.1	63.49	0.26	0.6	0.63
PubchemFP697	4015	54.1	71.9	63.58	0.26	0.6	0.63
PubchemFP185	3503	81.3	42.9	60.83	0.26	0.38	0.62
MACCSFP145	3296	81.6	42.4	60.66	0.26	0.37	0.62
FP302	302	47.5	76.9	63.19	0.26	0.65	0.62
GraphFP837	2964	38.2	84.3	62.81	0.26	0.72	0.61
GraphFP554	2681	87.2	35.3	59.5	0.26	0.32	0.61
GraphFP175	2302	62.1	63.9	63.06	0.26	0.54	0.63
ExtFP766	1790	39.8	83.2	63	0.26	0.71	0.62
ExtFP441	1465	46.3	78.1	63.27	0.26	0.66	0.62
ExtFP340	1364	31.8	89	62.33	0.26	0.76	0.6
FP76	76	66.5	58.3	62.08	0.25	0.5	0.62
FP719	719	33.7	86.9	62.12	0.25	0.75	0.6
FP704	704	44.9	78.3	62.73	0.25	0.67	0.62
FP523	523	29.1	90.2	61.72	0.25	0.78	0.6
FP453	453	40.9	81.6	62.61	0.25	0.7	0.61
PubchemFP798	4116	31.4	89	62.16	0.25	0.76	0.6
PubchemFP699	4017	38.4	83.4	62.41	0.25	0.71	0.61
PubchemFP196	3514	25.6	92.8	61.49	0.25	0.81	0.59
PubchemFP13	3331	13.4	99.1	59.12	0.25	0.89	0.56
GraphFP892	3019	65.3	59.9	62.43	0.25	0.51	0.63
GraphFP717	2844	33.4	87.5	62.24	0.25	0.75	0.6
GraphFP465	2592	29.7	90.4	62.06	0.25	0.78	0.6
GraphFP319	2446	52.4	72.5	63.1	0.25	0.61	0.62
GraphFP286	2413	89.4	31.5	58.47	0.25	0.29	0.6
ExtFP920	1944	26.8	92	61.62	0.25	0.8	0.59
ExtFP511	1535	29.7	89.7	61.74	0.25	0.78	0.6
ExtFP424	1448	61.3	63.3	62.37	0.25	0.54	0.62
ExtFP292	1316	36.1	85.4	62.43	0.25	0.73	0.61
ExtFP283	1307	26.2	92.1	61.36	0.25	0.8	0.59
ExtFP187	1211	35.1	86.1	62.29	0.25	0.74	0.61
FP893	893	43.4	79.1	62.45	0.24	0.68	0.61
FP866	866	30.7	89	61.79	0.24	0.77	0.6
FP744	744	49.7	73.5	62.4	0.24	0.63	0.62
FP727	727	39.6	81.7	62.1	0.24	0.7	0.61
PubchemFP688	4006	87.2	33.6	58.64	0.24	0.31	0.6
PubchemFP341	3659	68	56.3	61.76	0.24	0.49	0.62
MACCSFP152	3303	68	56.3	61.76	0.24	0.49	0.62
GraphFP819	2946	56.9	67.4	62.5	0.24	0.58	0.62
GraphFP791	2918	72.5	50.6	60.81	0.24	0.44	0.62
GraphFP462	2589	26.9	91.5	61.35	0.24	0.8	0.59
GraphFP411	2538	55.5	68.4	62.4	0.24	0.59	0.62
FP193	193	42.1	80.3	62.51	0.24	0.69	0.61
ExtFP409	1433	42.6	79.2	62.16	0.24	0.68	0.61
ExtFP405	1429	40.8	81.3	62.42	0.24	0.7	0.61
ExtFP299	1323	28.4	90.1	61.31	0.24	0.78	0.59
ExtFP221	1245	30	89.3	61.67	0.24	0.77	0.6
ExtFP161	1185	37.4	84	62.28	0.24	0.72	0.61
ExtFP138	1162	35.2	85.6	62.13	0.24	0.74	0.6
ExtFP76	1100	56.5	67.2	62.21	0.24	0.58	0.62
FP766	766	28.3	89.3	60.89	0.23	0.78	0.59
FP764	764	55.2	68	62.02	0.23	0.59	0.62
FP589	589	46.6	75.5	62.02	0.23	0.65	0.61
PubchemFP735	4053	26.4	91	60.86	0.23	0.8	0.59
MACCSFP125	3276	71.2	51.3	60.57	0.23	0.45	0.61
GraphFP684	2811	60.3	62.3	61.37	0.23	0.54	0.61
FP274	274	38.2	82.5	61.83	0.23	0.71	0.6
GraphFP320	2447	30.4	88.2	61.24	0.23	0.77	0.59
GraphFP298	2425	69.4	53.4	60.87	0.23	0.47	0.61
GraphFP31	2158	51.5	70.8	61.82	0.23	0.61	0.61
ExtFP1011	2035	93	24.2	56.31	0.23	0.23	0.59
FP173	173	32.1	86.8	61.31	0.23	0.76	0.59
ExtFP659	1683	29.4	89.1	61.27	0.23	0.78	0.59
ExtFP652	1676	54.6	68.5	62.01	0.23	0.59	0.62
ExtFP634	1658	33	86	61.27	0.23	0.75	0.59
ExtFP611	1635	50	72.3	61.89	0.23	0.62	0.61
ExtFP597	1621	35.8	84.5	61.77	0.23	0.73	0.6
ExtFP591	1615	42.6	78.8	61.89	0.23	0.68	0.61
ExtFP416	1440	38	82.7	61.87	0.23	0.71	0.6
ExtFP391	1415	31.3	87.3	61.2	0.23	0.76	0.59
ExtFP386	1410	33.3	86.3	61.58	0.23	0.75	0.6
ExtFP369	1393	43.7	78	62.05	0.23	0.67	0.61
ExtFP350	1374	47.6	74.6	62	0.23	0.64	0.61
FP130	130	28.6	89.3	60.99	0.23	0.78	0.59
ExtFP193	1217	31.4	87.2	61.16	0.23	0.76	0.59
ExtFP80	1104	33.1	86.4	61.52	0.23	0.75	0.6
FP1015	1015	49.8	73	62.19	0.23	0.63	0.61
FP988	988	34.4	84.4	61.06	0.22	0.74	0.59
FP922	922	34	85.1	61.26	0.22	0.74	0.6
KRFP2986	7491	43.3	77.2	61.39	0.22	0.67	0.6
FP533	533	27.9	89.6	60.81	0.22	0.79	0.59
FP444	444	33.1	85.2	60.9	0.22	0.75	0.59
FP438	438	29.9	87.8	60.81	0.22	0.77	0.59
FP410	410	39.4	80.9	61.56	0.22	0.7	0.6
FP325	325	20.4	94	59.67	0.22	0.84	0.57
MACCSFP99	3250	43.4	77.2	61.4	0.22	0.67	0.6
GraphFP893	3020	24	91.9	60.25	0.22	0.81	0.58
GraphFP731	2858	32.2	85.9	60.86	0.22	0.75	0.59
GraphFP455	2582	42.6	77.6	61.28	0.22	0.68	0.6
GraphFP318	2445	47.4	73.8	61.5	0.22	0.64	0.61
GraphFP255	2382	51.9	69.8	61.43	0.22	0.61	0.61
ExtFP883	1907	33.3	85.3	61.05	0.22	0.75	0.59
ExtFP752	1776	40.3	79.9	61.41	0.22	0.69	0.6
ExtFP530	1554	34.7	84.3	61.18	0.22	0.74	0.6
ExtFP408	1432	45.1	75.9	61.52	0.22	0.66	0.6
ExtFP399	1423	31.5	86.9	61.04	0.22	0.76	0.59
FP139	139	53.9	68.1	61.45	0.22	0.59	0.61
ExtFP238	1262	30.2	87.6	60.8	0.22	0.77	0.59
ExtFP160	1184	31	86.9	60.83	0.22	0.76	0.59
ExtFP102	1126	36.3	83.1	61.25	0.22	0.72	0.6
ExtFP95	1119	27.1	90	60.64	0.22	0.79	0.59