CompaRNA - on-line benchmarks of RNA structure prediction methods
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Table of contents:

  1. Overview

  2. Performance Plots

  3. Performance of CentroidFold - scored higher in this pairwise comparison

  4. Performance of HotKnots - scored lower in this pairwise comparison

  5. Compile and download dataset for CentroidFold & HotKnots [.zip] - may take several seconds...


Overview

Metric CentroidFold HotKnots
MCC 0.482 > 0.453
Average MCC ± 95% Confidence Intervals 0.548 ± 0.084 < 0.555 ± 0.100
Sensitivity 0.430 < 0.445
Positive Predictive Value 0.548 > 0.469
Total TP 507 < 524
Total TN 158581 > 158389
Total FP 427 < 609
Total FP CONTRA 53 < 81
Total FP INCONS 365 < 512
Total FP COMP 9 < 16
Total FN 671 > 654
P-value 3.56938820447e-08

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Performance plots


  1. Comparison of performance of CentroidFold and HotKnots. 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 CentroidFold and HotKnots).

  2. 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 CentroidFold and HotKnots).

  3. Comparison of average Matthews Correlation Coefficients (MCCs) for CentroidFold and HotKnots. 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 CentroidFold and HotKnots).

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Performance of CentroidFold - scored higher in this pairwise comparison

1. Total counts & total scores for CentroidFold

Total Base Pair Counts
Total TP 507
Total TN 158581
Total FP 427
Total FP CONTRA 53
Total FP INCONS 365
Total FP COMP 9
Total FN 671
Total Scores
MCC 0.482
Average MCC ± 95% Confidence Intervals 0.548 ± 0.084
Sensitivity 0.430
Positive Predictive Value 0.548
Nr of predictions 53

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
PDB_00005 0.88 0.79 1.00 11 935 0 0 0 0 3
PDB_00018 - 0.20 0.20 0.22 4 1017 14 2 12 0 16
PDB_00020 - 0.38 0.35 0.44 7 764 9 0 9 0 13
PDB_00041 - 0.70 0.50 1.00 6 624 0 0 0 0 6
PDB_00053 - 0.73 0.55 1.00 6 429 0 0 0 0 5
PDB_00056 - 0.93 0.88 1.00 14 616 0 0 0 0 2
PDB_00123 - -0.01 0.00 0.00 0 4151 35 0 35 0 36
PDB_00124 - -0.02 0.00 0.00 0 488 8 2 6 0 10
PDB_00128 - 0.80 0.71 0.91 10 485 1 0 1 0 4
PDB_00134 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00138 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00209 - 0.67 0.45 1.00 5 556 0 0 0 0 6
PDB_00243 - 0.63 0.58 0.70 7 620 3 0 3 0 5
PDB_00352 - 0.92 0.84 1.00 16 1209 0 0 0 0 3
PDB_00370 - 0.00 0.00 0.00 0 15219 6 0 6 0 25
PDB_00447 - 0.59 0.41 0.86 18 7119 3 3 0 0 26
PDB_00571 0.77 0.64 0.94 16 3304 1 1 0 0 9
PDB_00713 - 0.54 0.48 0.63 10 2000 6 1 5 0 11
PDB_00716 0.33 0.30 0.37 7 2682 13 0 12 1 16
PDB_00804 - 0.22 0.24 0.21 12 15342 46 10 36 0 38
PDB_00828 0.88 0.78 1.00 21 2464 0 0 0 0 6
PDB_00829 0.86 0.75 1.00 18 2260 0 0 0 0 6
PDB_00842 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00851 - 0.44 0.39 0.50 16 4721 16 0 16 0 25
PDB_00857 - 0.77 0.60 1.00 9 1072 0 0 0 0 6
PDB_00874 - -0.02 0.00 0.00 0 929 17 0 17 0 20
PDB_00886 - -0.01 0.00 0.00 0 4148 38 0 38 0 40
PDB_00918 - 0.75 0.57 1.00 4 321 0 0 0 0 3
PDB_01009 0.46 0.52 0.41 11 2458 16 5 11 0 10
PDB_01020 0.86 0.74 1.00 17 2261 1 0 0 1 6
PDB_01040 - 0.30 0.30 0.32 6 1109 13 0 13 0 14
PDB_01059 - 0.75 0.57 1.00 4 227 0 0 0 0 3
PDB_01070 - 0.38 0.28 0.52 15 12691 14 0 14 0 39
PDB_01073 0.86 0.74 1.00 25 4346 1 0 0 1 9
PDB_01092 0.71 0.63 0.80 33 10112 10 1 7 2 19
PDB_01194 - -0.02 0.00 0.00 0 487 9 0 9 0 15
PDB_01201 - 0.85 0.73 1.00 16 1112 0 0 0 0 6
PDB_01203 - 0.72 0.68 0.76 13 1159 4 3 1 0 6
PDB_01250 - 0.18 0.15 0.22 6 12063 21 5 16 0 35
PDB_01260 - 0.64 0.48 0.86 12 1816 2 0 2 0 13
PDB_01281 - -0.03 0.00 0.00 0 366 12 0 12 0 14
PDB_01299 - 0.74 0.67 0.83 10 891 2 1 1 0 5
PDB_01309 - -0.01 0.00 0.00 0 9118 62 9 53 0 39
RFA_00632 0.67 0.61 0.74 17 4072 6 1 5 0 11
RFA_00636 0.64 0.64 0.64 18 3977 10 4 6 0 10
RFA_00767 0.74 0.56 1.00 10 1881 0 0 0 0 8
RFA_00768 0.45 0.44 0.47 8 1874 9 1 8 0 10
RFA_00769 0.63 0.56 0.71 10 1939 4 3 1 0 8
RFA_00770 0.64 0.50 0.82 9 2005 4 0 2 2 9
RFA_00773 0.71 0.56 0.91 10 1942 3 1 0 2 8
RFA_00779 0.68 0.56 0.83 10 1941 2 0 2 0 8
RFA_00808 0.75 0.56 1.00 9 2007 0 0 0 0 7
RFA_00809 0.43 0.38 0.50 6 2133 6 0 6 0 10

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Performance of HotKnots - scored lower in this pairwise comparison

1. Total counts & total scores for HotKnots

Total Base Pair Counts
Total TP 524
Total TN 158389
Total FP 609
Total FP CONTRA 81
Total FP INCONS 512
Total FP COMP 16
Total FN 654
Total Scores
MCC 0.453
Average MCC ± 95% Confidence Intervals 0.555 ± 0.100
Sensitivity 0.445
Positive Predictive Value 0.469
Nr of predictions 53

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
PDB_00005 0.88 0.79 1.00 11 935 0 0 0 0 3
PDB_00018 - 0.20 0.20 0.22 4 1017 14 2 12 0 16
PDB_00020 - 0.38 0.35 0.44 7 764 9 0 9 0 13
PDB_00041 - 1.00 1.00 1.00 12 618 0 0 0 0 0
PDB_00053 - 1.00 1.00 1.00 11 424 0 0 0 0 0
PDB_00056 - 0.93 0.88 1.00 14 616 0 0 0 0 2
PDB_00123 - -0.01 0.00 0.00 0 4151 35 0 35 0 36
PDB_00124 - 0.86 0.90 0.82 9 485 2 2 0 0 1
PDB_00128 - 0.80 0.71 0.91 10 485 1 0 1 0 4
PDB_00134 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00138 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00209 - 0.96 1.00 0.92 11 549 1 1 0 0 0
PDB_00243 - 0.71 0.58 0.88 7 622 1 0 1 0 5
PDB_00352 - 0.89 0.79 1.00 15 1210 0 0 0 0 4
PDB_00370 - 0.09 0.12 0.07 3 15179 45 12 31 2 22
PDB_00447 - 0.23 0.23 0.25 10 7100 30 6 24 0 34
PDB_00571 0.17 0.16 0.19 4 3300 17 6 11 0 21
PDB_00713 - 0.43 0.43 0.45 9 1996 11 0 11 0 12
PDB_00716 -0.01 0.00 0.00 0 2678 24 1 22 1 23
PDB_00804 - 0.22 0.24 0.21 12 15342 48 10 36 2 38
PDB_00828 0.88 0.78 1.00 21 2464 0 0 0 0 6
PDB_00829 0.86 0.75 1.00 18 2260 0 0 0 0 6
PDB_00842 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00851 - 0.44 0.39 0.50 16 4721 16 0 16 0 25
PDB_00857 - 1.00 1.00 1.00 15 1066 0 0 0 0 0
PDB_00874 - 0.10 0.10 0.14 2 932 12 2 10 0 18
PDB_00886 - -0.01 0.00 0.00 0 4148 38 0 38 0 40
PDB_00918 - 0.75 0.57 1.00 4 321 0 0 0 0 3
PDB_01009 0.52 0.57 0.48 12 2460 13 5 8 0 9
PDB_01020 0.86 0.74 1.00 17 2261 1 0 0 1 6
PDB_01040 - 0.30 0.30 0.33 6 1110 12 0 12 0 14
PDB_01059 - 0.75 0.57 1.00 4 227 0 0 0 0 3
PDB_01070 - 0.31 0.30 0.33 16 12671 33 2 31 0 38
PDB_01073 0.81 0.74 0.89 25 4343 4 2 1 1 9
PDB_01092 0.69 0.65 0.74 34 10107 13 0 12 1 18
PDB_01194 - 0.93 0.93 0.93 14 481 1 1 0 0 1
PDB_01201 - 0.85 0.73 1.00 16 1112 0 0 0 0 6
PDB_01203 - 0.71 0.63 0.80 12 1161 3 2 1 0 7
PDB_01250 - 0.10 0.10 0.12 4 12056 30 7 23 0 37
PDB_01260 - 0.41 0.36 0.47 9 1811 10 0 10 0 16
PDB_01281 - -0.03 0.00 0.00 0 366 12 0 12 0 14
PDB_01299 - 0.74 0.67 0.83 10 891 2 1 1 0 5
PDB_01309 - -0.01 0.00 0.00 0 9118 62 9 53 0 39
RFA_00632 0.38 0.39 0.37 11 4065 19 2 17 0 17
RFA_00636 0.42 0.43 0.43 12 3977 16 2 14 0 16
RFA_00767 0.93 1.00 0.86 18 1870 3 3 0 0 0
RFA_00768 1.00 1.00 1.00 18 1873 0 0 0 0 0
RFA_00769 -0.01 0.00 0.00 0 1934 21 0 19 2 18
RFA_00770 -0.01 0.00 0.00 0 1999 20 0 17 3 18
RFA_00773 -0.01 0.00 0.00 0 1934 22 0 19 3 18
RFA_00779 0.87 0.94 0.81 17 1932 4 3 1 0 1
RFA_00808 1.00 1.00 1.00 16 2000 0 0 0 0 0
RFA_00809 0.79 0.81 0.76 13 2128 4 0 4 0 3

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