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

  1. Overview

  2. Performance Plots

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

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

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


Overview

Metric McQFold ProbKnot
MCC 0.594 > 0.459
Average MCC ± 95% Confidence Intervals 0.694 ± 0.092 > 0.535 ± 0.084
Sensitivity 0.583 > 0.440
Positive Predictive Value 0.611 > 0.487
Total TP 687 > 518
Total TN 158382 < 158442
Total FP 456 < 562
Total FP CONTRA 78 > 69
Total FP INCONS 359 < 477
Total FP COMP 19 > 16
Total FN 491 < 660
P-value 3.56938820447e-08

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Performance plots


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

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

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Performance of McQFold - scored higher in this pairwise comparison

1. Total counts & total scores for McQFold

Total Base Pair Counts
Total TP 687
Total TN 158382
Total FP 456
Total FP CONTRA 78
Total FP INCONS 359
Total FP COMP 19
Total FN 491
Total Scores
MCC 0.594
Average MCC ± 95% Confidence Intervals 0.694 ± 0.092
Sensitivity 0.583
Positive Predictive Value 0.611
Nr of predictions 53

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2. Individual counts for McQFold [ 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 - 0.19 0.20 0.21 4 1016 15 2 13 0 16
PDB_00020 - 0.75 0.65 0.87 13 765 2 0 2 0 7
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 - 0.33 0.33 0.33 12 4150 24 0 24 0 24
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 - 0.94 1.00 0.89 8 369 1 1 0 0 0
PDB_00209 - 0.96 1.00 0.92 11 549 1 1 0 0 0
PDB_00243 - 1.00 1.00 1.00 12 618 0 0 0 0 0
PDB_00352 - 0.86 0.79 0.94 15 1209 1 0 1 0 4
PDB_00370 - 0.00 0.00 0.00 0 15181 44 13 31 0 25
PDB_00447 - 0.11 0.11 0.12 5 7097 38 7 31 0 39
PDB_00571 0.87 0.80 0.95 20 3300 1 1 0 0 5
PDB_00713 - 0.43 0.43 0.45 9 1996 11 0 11 0 12
PDB_00716 0.68 0.70 0.67 16 2677 9 0 8 1 7
PDB_00804 - 0.00 0.00 0.00 0 15344 56 10 46 0 50
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 - 0.49 0.44 0.56 18 4721 14 0 14 0 23
PDB_00857 - 1.00 1.00 1.00 15 1066 0 0 0 0 0
PDB_00874 - -0.02 0.00 0.00 0 928 18 0 18 0 20
PDB_00886 - -0.01 0.00 0.00 0 4147 39 0 39 0 40
PDB_00918 - 0.93 1.00 0.88 7 317 1 1 0 0 0
PDB_01009 0.90 0.90 0.90 19 2464 5 0 2 3 2
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 - 0.88 1.00 0.78 7 222 2 2 0 0 0
PDB_01070 - 0.78 0.70 0.86 38 12676 6 0 6 0 16
PDB_01073 0.52 0.47 0.57 16 4343 13 2 10 1 18
PDB_01092 0.81 0.75 0.89 39 10109 6 1 4 1 13
PDB_01194 - 0.89 0.87 0.93 13 482 1 1 0 0 2
PDB_01201 - 0.88 0.77 1.00 17 1111 0 0 0 0 5
PDB_01203 - 0.74 0.68 0.81 13 1160 3 2 1 0 6
PDB_01250 - 0.17 0.15 0.19 6 12059 25 5 20 0 35
PDB_01260 - 0.92 0.92 0.92 23 1805 2 1 1 0 2
PDB_01281 - -0.04 0.00 0.00 0 365 13 0 13 0 14
PDB_01299 - 0.71 0.67 0.77 10 890 3 1 2 0 5
PDB_01309 - 0.12 0.15 0.10 6 9122 56 12 40 4 33
RFA_00632 0.88 0.89 0.86 25 4066 4 3 1 0 3
RFA_00636 0.73 0.71 0.74 20 3978 7 5 2 0 8
RFA_00767 1.00 1.00 1.00 18 1873 0 0 0 0 0
RFA_00768 1.00 1.00 1.00 18 1873 0 0 0 0 0
RFA_00769 0.85 0.94 0.77 17 1931 5 4 1 0 1
RFA_00770 0.88 0.78 1.00 14 2002 4 0 0 4 4
RFA_00773 0.97 1.00 0.95 18 1934 5 1 0 4 0
RFA_00779 0.97 0.94 1.00 17 1936 0 0 0 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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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.