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 ProbKnot - scored lower in this pairwise comparison

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


Overview

Metric CentroidFold ProbKnot
MCC 0.482 > 0.459
Average MCC ± 95% Confidence Intervals 0.548 ± 0.084 > 0.535 ± 0.084
Sensitivity 0.430 < 0.440
Positive Predictive Value 0.548 > 0.487
Total TP 507 < 518
Total TN 158581 > 158442
Total FP 427 < 562
Total FP CONTRA 53 < 69
Total FP INCONS 365 < 477
Total FP COMP 9 < 16
Total FN 671 > 660
P-value 3.56938820447e-08

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Performance plots


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

  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 ProbKnot).

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

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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 ProbKnot - scored lower in this pairwise comparison

1. Total counts & total scores for ProbKnot

Total Base Pair Counts
Total TP 518
Total TN 158442
Total FP 562
Total FP CONTRA 69
Total FP INCONS 477
Total FP COMP 16
Total FN 660
Total Scores
MCC 0.459
Average MCC ± 95% Confidence Intervals 0.535 ± 0.084
Sensitivity 0.440
Positive Predictive Value 0.487
Nr of predictions 53

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
PDB_00005 0.78 0.79 0.79 11 932 3 0 3 0 3
PDB_00018 - 0.20 0.20 0.22 4 1017 14 2 12 0 16
PDB_00020 - 0.41 0.35 0.50 7 766 7 0 7 0 13
PDB_00041 - 0.70 0.50 1.00 6 624 0 0 0 0 6
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 - -0.02 0.00 0.00 0 488 8 2 6 0 10
PDB_00128 - 0.77 0.71 0.83 10 484 2 0 2 0 4
PDB_00134 - 0.79 0.63 1.00 5 373 0 0 0 0 3
PDB_00138 - 0.72 0.63 0.83 5 372 1 0 1 0 3
PDB_00209 - 0.56 0.45 0.71 5 554 2 0 2 0 6
PDB_00243 - 0.63 0.58 0.70 7 620 3 0 3 0 5
PDB_00352 - 0.86 0.79 0.94 15 1209 1 0 1 0 4
PDB_00370 - 0.09 0.12 0.07 3 15183 41 8 31 2 22
PDB_00447 - 0.27 0.25 0.30 11 7103 26 6 20 0 33
PDB_00571 0.60 0.60 0.60 15 3296 10 6 4 0 10
PDB_00713 - 0.43 0.43 0.45 9 1996 12 0 11 1 12
PDB_00716 -0.01 0.00 0.00 0 2680 22 0 21 1 23
PDB_00804 - 0.28 0.28 0.28 14 15350 38 6 30 2 36
PDB_00828 0.86 0.78 0.95 21 2463 1 0 1 0 6
PDB_00829 0.86 0.75 1.00 18 2260 0 0 0 0 6
PDB_00842 - 1.00 1.00 1.00 8 370 0 0 0 0 0
PDB_00851 - 0.45 0.39 0.53 16 4723 14 0 14 0 25
PDB_00857 - 0.80 0.80 0.80 12 1066 3 0 3 0 3
PDB_00874 - 0.05 0.05 0.08 1 933 12 2 10 0 19
PDB_00886 - -0.01 0.00 0.00 0 4148 38 0 38 0 40
PDB_00918 - 0.67 0.57 0.80 4 320 1 0 1 0 3
PDB_01009 0.54 0.57 0.52 12 2462 12 5 6 1 9
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 - 1.00 1.00 1.00 7 224 0 0 0 0 0
PDB_01070 - 0.33 0.30 0.38 16 12678 27 2 24 1 38
PDB_01073 0.86 0.74 1.00 25 4346 1 0 0 1 9
PDB_01092 0.73 0.63 0.85 33 10114 8 1 5 2 19
PDB_01194 - 0.69 0.60 0.82 9 485 2 0 2 0 6
PDB_01201 - 0.98 0.95 1.00 21 1107 0 0 0 0 1
PDB_01203 - 0.74 0.68 0.81 13 1160 3 2 1 0 6
PDB_01250 - 0.22 0.20 0.25 8 12058 24 4 20 0 33
PDB_01260 - 0.53 0.48 0.60 12 1810 8 1 7 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 0.40 0.39 0.41 11 4068 16 0 16 0 17
RFA_00636 0.44 0.46 0.43 13 3975 17 0 17 0 15
RFA_00767 0.63 0.56 0.71 10 1877 4 0 4 0 8
RFA_00768 0.44 0.44 0.44 8 1873 11 1 9 1 10
RFA_00769 0.54 0.56 0.53 10 1934 9 4 5 0 8
RFA_00770 0.59 0.56 0.63 10 2000 9 0 6 3 8
RFA_00773 0.55 0.56 0.56 10 1935 8 3 5 0 8
RFA_00779 0.63 0.56 0.71 10 1939 4 3 1 0 8
RFA_00808 0.65 0.56 0.75 9 2004 3 0 3 0 7
RFA_00809 0.35 0.38 0.33 6 2127 12 1 11 0 10

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