CompaRNA - on-line benchmarks of RNA structure prediction methods

Laboratory of Structural Bioinformatics @ Adam Mickiewicz University in Poznan

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Overview

Metric	RNASampler(20)		PknotsRG
MCC	0.553	>	0.394
Average MCC ± 95% Confidence Intervals	0.570 ± 0.039	>	0.409 ± 0.050
Sensitivity	0.434	>	0.399
Positive Predictive Value	0.705	>	0.391
Total TP	1981	>	1822
Total TN	2918978	>	2917131
Total FP	1029	<	3127
Total FP CONTRA	247	<	496
Total FP INCONS	580	<	2337
Total FP COMP	202	<	294
Total FN	2585	<	2744
P-value	3.56938820447e-08

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Performance plots

Comparison of performance of RNASampler(20) and PknotsRG. Positive Predictive Value (PPV) is plotted against sensitivity. Each dot represents a single test of each method. See tables below for raw data (individual counts for RNASampler(20) and PknotsRG).
Average Matthews Correlation Coefficients (MCC) with 95% confidence intervals (CIs) were plotted for different RNA families, for which at least 3 members were present in the benchmarking dataset. 'n' denotes the number of MCCs used to calculate the average and CI. See tables below for raw data (individual counts for RNASampler(20) and PknotsRG).
Comparison of average Matthews Correlation Coefficients (MCCs) for RNASampler(20) and PknotsRG. The whiskers correspond to 95% confidence intervals (CIs). 'n' denotes the number of MCCs used to calculate average MCCs and CIs. See tables below for raw data (individual counts for RNASampler(20) and PknotsRG).

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Performance of RNASampler(20) - scored higher in this pairwise comparison

1. Total counts & total scores for RNASampler(20)

Total Base Pair Counts
Total TP	1981
Total TN	2918978
Total FP	1029
Total FP CONTRA	247
Total FP INCONS	580
Total FP COMP	202
Total FN	2585

Total Scores
MCC	0.553
Average MCC ± 95% Confidence Intervals	0.570 ± 0.039
Sensitivity	0.434
Positive Predictive Value	0.705
Nr of predictions	50

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2. Individual counts for RNASampler(20) [ download as .csv ]

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00064	RNaseP_bact_a links to Rfam database...	0.44	0.34	0.58	30	45399	23	1	21	1	59
ASE_00090	RNaseP_bact_a links to Rfam database...	0.54	0.40	0.74	40	55557	14	0	14	0	61
ASE_00135	RNaseP_bact_a links to Rfam database...	0.54	0.36	0.83	39	63143	16	0	8	8	70
ASE_00153	RNaseP_nuc links to Rfam database...	0.38	0.33	0.44	24	57576	38	7	23	8	49
ASE_00215	RNaseP_bact_a links to Rfam database...	0.38	0.23	0.62	23	48479	16	0	14	2	76
ASE_00328	RNaseP_bact_b links to Rfam database...	0.70	0.57	0.85	64	72696	14	5	6	3	48
ASE_00361	RNaseP_bact_a links to Rfam database...	0.34	0.21	0.55	27	75417	26	3	19	4	100
ASE_00441	RNaseP_bact_a links to Rfam database...	0.46	0.31	0.69	35	64210	16	0	16	0	77
PDB_00571	tRNA links to Rfam database...	0.87	0.80	0.95	20	3300	1	1	0	0	5
PDB_00828	Purine links to Rfam database...	0.86	0.74	1.00	20	2465	0	0	0	0	7
PDB_00829	Purine links to Rfam database...	0.86	0.75	1.00	18	2260	0	0	0	0	6
PDB_01020	Purine links to Rfam database...	0.86	0.74	1.00	17	2261	1	0	0	1	6
PDB_01073	SAM links to Rfam database...	0.77	0.59	1.00	20	4351	1	0	0	1	14
TMR_00017	tmRNA links to Rfam database...	0.60	0.45	0.81	46	67104	15	2	9	4	56
TMR_00018	tmRNA links to Rfam database...	0.52	0.41	0.64	38	64561	25	10	11	4	54
TMR_00042	tmRNA links to Rfam database...	0.60	0.42	0.85	41	62787	13	0	7	6	57
TMR_00046	tmRNA links to Rfam database...	0.48	0.40	0.58	38	62769	34	5	23	6	58
TMR_00048	tmRNA links to Rfam database...	0.61	0.46	0.80	44	64925	16	3	8	5	51
TMR_00080	tmRNA links to Rfam database...	0.49	0.41	0.60	39	70435	28	10	16	2	57
TMR_00082	tmRNA links to Rfam database...	0.43	0.31	0.59	30	67845	21	13	8	0	66
TMR_00123	tmRNA links to Rfam database...	0.60	0.46	0.79	46	66372	17	3	9	5	55
TMR_00137	tmRNA links to Rfam database...	0.47	0.37	0.59	33	61019	28	11	12	5	56
TMR_00142	tmRNA links to Rfam database...	0.56	0.47	0.67	48	70804	31	9	15	7	54
TMR_00207	tmRNA links to Rfam database...	0.52	0.39	0.70	40	72333	21	4	13	4	63
TMR_00257	tmRNA links to Rfam database...	0.56	0.40	0.78	39	67111	16	3	8	5	59
TMR_00271	tmRNA links to Rfam database...	0.48	0.34	0.69	31	64216	21	7	7	7	60
TMR_00332	tmRNA links to Rfam database...	0.52	0.41	0.66	41	67099	22	6	15	1	58
TMR_00366	tmRNA links to Rfam database...	0.55	0.46	0.65	46	67825	36	12	13	11	54
TMR_00378	tmRNA links to Rfam database...	0.55	0.46	0.65	45	67827	35	8	16	11	52
TMR_00404	tmRNA links to Rfam database...	0.66	0.54	0.81	50	67466	20	4	8	8	42
TMR_00427	tmRNA links to Rfam database...	0.47	0.34	0.65	33	67477	20	7	11	2	64
TMR_00443	tmRNA links to Rfam database...	0.56	0.41	0.75	43	67104	14	6	8	0	61
TMR_00451	tmRNA links to Rfam database...	0.34	0.25	0.47	22	63499	29	10	15	4	67
TMR_00458	tmRNA links to Rfam database...	0.55	0.42	0.72	39	63492	15	7	8	0	54
TMR_00469	tmRNA links to Rfam database...	0.72	0.61	0.86	61	64549	11	4	6	1	39
TMR_00472	tmRNA links to Rfam database...	0.75	0.63	0.88	61	64551	13	2	6	5	36
TMR_00519	tmRNA links to Rfam database...	0.50	0.40	0.62	38	63129	27	14	9	4	57
TMR_00520	tmRNA links to Rfam database...	0.40	0.31	0.52	31	63130	33	12	17	4	68
TMR_00522	tmRNA links to Rfam database...	0.54	0.42	0.68	41	63130	24	9	10	5	56
TMR_00528	tmRNA links to Rfam database...	0.49	0.40	0.59	39	63124	31	12	15	4	58
TMR_00540	tmRNA links to Rfam database...	0.47	0.37	0.59	38	73472	26	10	16	0	66
TMR_00568	tmRNA links to Rfam database...	0.72	0.66	0.78	65	60643	26	2	16	8	34
TMR_00571	tmRNA links to Rfam database...	0.77	0.71	0.83	70	60642	22	2	12	8	29
TMR_00580	tmRNA links to Rfam database...	0.53	0.47	0.59	47	60647	40	3	29	8	53
TMR_00584	tmRNA links to Rfam database...	0.71	0.65	0.79	63	60995	25	3	14	8	34
TMR_00586	tmRNA links to Rfam database...	0.61	0.52	0.72	50	61006	26	5	14	7	47
TMR_00616	tmRNA links to Rfam database...	0.66	0.57	0.77	56	67088	23	3	14	6	43
TMR_00699	tmRNA links to Rfam database...	0.54	0.38	0.76	39	67110	13	3	9	1	63
TMR_00702	tmRNA links to Rfam database...	0.42	0.32	0.56	32	67104	28	3	22	3	68
TMR_00703	tmRNA links to Rfam database...	0.56	0.41	0.76	41	67474	18	3	10	5	58

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Performance of PknotsRG - scored lower in this pairwise comparison

1. Total counts & total scores for PknotsRG

Total Base Pair Counts
Total TP	1822
Total TN	2917131
Total FP	3127
Total FP CONTRA	496
Total FP INCONS	2337
Total FP COMP	294
Total FN	2744

Total Scores
MCC	0.394
Average MCC ± 95% Confidence Intervals	0.409 ± 0.050
Sensitivity	0.399
Positive Predictive Value	0.391
Nr of predictions	50

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2. Individual counts for PknotsRG [ download as .csv ]

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00064	RNaseP_bact_a links to Rfam database...	0.43	0.43	0.44	38	45364	53	5	44	4	51
ASE_00090	RNaseP_bact_a links to Rfam database...	0.59	0.59	0.59	60	55509	47	2	40	5	41
ASE_00135	RNaseP_bact_a links to Rfam database...	0.47	0.46	0.48	50	63085	59	8	47	4	59
ASE_00153	RNaseP_nuc links to Rfam database...	0.61	0.62	0.61	45	57556	71	2	27	42	28
ASE_00215	RNaseP_bact_a links to Rfam database...	0.55	0.53	0.57	52	48425	42	4	35	3	47
ASE_00328	RNaseP_bact_b links to Rfam database...	0.41	0.41	0.41	46	72659	73	3	63	7	66
ASE_00361	RNaseP_bact_a links to Rfam database...	0.37	0.36	0.38	46	75345	78	9	66	3	81
ASE_00441	RNaseP_bact_a links to Rfam database...	0.78	0.74	0.83	83	64161	28	1	16	11	29
PDB_00571	tRNA links to Rfam database...	0.17	0.16	0.19	4	3300	17	6	11	0	21
PDB_00828	Purine links to Rfam database...	0.88	0.78	1.00	21	2464	0	0	0	0	6
PDB_00829	Purine links to Rfam database...	0.86	0.75	1.00	18	2260	0	0	0	0	6
PDB_01020	Purine links to Rfam database...	0.23	0.22	0.26	5	2259	14	2	12	0	18
PDB_01073	SAM links to Rfam database...	0.75	0.65	0.88	22	4346	4	0	3	1	12
TMR_00017	tmRNA links to Rfam database...	0.36	0.37	0.36	38	67055	74	15	53	6	64
TMR_00018	tmRNA links to Rfam database...	0.30	0.32	0.30	29	64522	75	10	59	6	63
TMR_00042	tmRNA links to Rfam database...	0.24	0.24	0.24	24	62735	79	9	67	3	74
TMR_00046	tmRNA links to Rfam database...	0.54	0.55	0.54	53	62736	49	11	35	3	43
TMR_00048	tmRNA links to Rfam database...	0.32	0.34	0.30	32	64875	78	9	64	5	63
TMR_00080	tmRNA links to Rfam database...	0.59	0.61	0.56	59	70395	49	16	30	3	37
TMR_00082	tmRNA links to Rfam database...	0.63	0.64	0.63	61	67799	41	12	24	5	35
TMR_00123	tmRNA links to Rfam database...	0.46	0.47	0.46	47	66327	57	11	45	1	54
TMR_00137	tmRNA links to Rfam database...	0.27	0.28	0.26	25	60980	78	14	56	8	64
TMR_00142	tmRNA links to Rfam database...	0.45	0.47	0.44	48	70767	70	15	46	9	54
TMR_00207	tmRNA links to Rfam database...	0.36	0.35	0.36	36	72291	70	4	59	7	67
TMR_00257	tmRNA links to Rfam database...	0.25	0.24	0.26	24	67068	73	8	61	4	74
TMR_00271	tmRNA links to Rfam database...	0.49	0.48	0.49	44	64171	54	8	38	8	47
TMR_00332	tmRNA links to Rfam database...	0.39	0.38	0.40	38	67065	62	9	49	4	61
TMR_00366	tmRNA links to Rfam database...	0.28	0.28	0.29	28	67798	83	12	58	13	72
TMR_00378	tmRNA links to Rfam database...	0.29	0.30	0.28	29	67791	87	7	69	11	68
TMR_00404	tmRNA links to Rfam database...	0.28	0.30	0.26	28	67421	90	22	57	11	64
TMR_00427	tmRNA links to Rfam database...	0.31	0.31	0.31	30	67432	71	11	55	5	67
TMR_00443	tmRNA links to Rfam database...	0.45	0.45	0.46	47	67058	58	14	42	2	57
TMR_00451	tmRNA links to Rfam database...	0.17	0.19	0.16	17	63441	88	16	72	0	72
TMR_00458	tmRNA links to Rfam database...	0.20	0.20	0.20	19	63449	85	19	59	7	74
TMR_00469	tmRNA links to Rfam database...	0.40	0.41	0.38	41	64513	66	11	55	0	59
TMR_00472	tmRNA links to Rfam database...	0.36	0.38	0.35	37	64514	72	24	45	3	60
TMR_00519	tmRNA links to Rfam database...	0.14	0.15	0.13	14	63086	100	16	74	10	81
TMR_00520	tmRNA links to Rfam database...	0.36	0.37	0.35	37	63085	78	13	55	10	62
TMR_00522	tmRNA links to Rfam database...	0.36	0.36	0.36	35	63092	72	11	52	9	62
TMR_00528	tmRNA links to Rfam database...	0.13	0.13	0.12	13	63082	105	12	83	10	84
TMR_00540	tmRNA links to Rfam database...	0.45	0.45	0.46	47	73433	65	4	52	9	57
TMR_00568	tmRNA links to Rfam database...	0.59	0.59	0.60	58	60630	47	3	35	9	41
TMR_00571	tmRNA links to Rfam database...	0.59	0.60	0.58	59	60625	47	7	35	5	40
TMR_00580	tmRNA links to Rfam database...	0.32	0.31	0.32	31	60630	70	13	52	5	69
TMR_00584	tmRNA links to Rfam database...	0.40	0.42	0.38	41	60967	72	8	59	5	56
TMR_00586	tmRNA links to Rfam database...	0.23	0.25	0.22	24	60964	88	18	69	1	73
TMR_00616	tmRNA links to Rfam database...	0.37	0.37	0.36	37	67058	71	18	48	5	62
TMR_00699	tmRNA links to Rfam database...	0.41	0.41	0.41	42	67059	63	10	50	3	60
TMR_00702	tmRNA links to Rfam database...	0.28	0.29	0.28	29	67057	80	18	57	5	71
TMR_00703	tmRNA links to Rfam database...	0.31	0.31	0.31	31	67427	74	16	54	4	68

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Matthews Correlation Coeffient, Sensitivity and Positive Predictive Value have been calculated based on the paper by Gardener & Giegerich, 2004.

Table of contents:

Overview

Performance plots

Performance of RNASampler(20) - scored higher in this pairwise comparison

1. Total counts & total scores for RNASampler(20)

2. Individual counts for RNASampler(20) [ download as .csv ]

Performance of PknotsRG - scored lower in this pairwise comparison

1. Total counts & total scores for PknotsRG

2. Individual counts for PknotsRG [ download as .csv ]