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

  1. Overview

  2. Performance Plots

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

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

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


Overview

Metric Contrafold HotKnots
MCC 0.458 > 0.453
Average MCC ± 95% Confidence Intervals 0.525 ± 0.083 < 0.555 ± 0.100
Sensitivity 0.435 < 0.445
Positive Predictive Value 0.491 > 0.469
Total TP 512 < 524
Total TN 158463 > 158389
Total FP 548 < 609
Total FP CONTRA 63 < 81
Total FP INCONS 468 < 512
Total FP COMP 17 > 16
Total FN 666 > 654
P-value 0.00476252034473

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Performance plots


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

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

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Performance of Contrafold - scored higher in this pairwise comparison

1. Total counts & total scores for Contrafold

Total Base Pair Counts
Total TP 512
Total TN 158463
Total FP 548
Total FP CONTRA 63
Total FP INCONS 468
Total FP COMP 17
Total FN 666
Total Scores
MCC 0.458
Average MCC ± 95% Confidence Intervals 0.525 ± 0.083
Sensitivity 0.435
Positive Predictive Value 0.491
Nr of predictions 53

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2. Individual counts for Contrafold [ 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 - 0.18 0.20 0.20 4 1015 16 2 14 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 - 0.25 0.25 0.29 4 616 10 0 10 0 12
PDB_00123 - -0.01 0.00 0.00 0 4151 35 0 35 0 36
PDB_00124 - -0.02 0.00 0.00 0 486 10 2 8 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 - 0.56 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 - 0.92 0.84 1.00 16 1209 0 0 0 0 3
PDB_00370 - 0.00 0.00 0.00 0 15185 40 4 36 0 25
PDB_00447 - 0.66 0.55 0.80 24 7110 6 6 0 0 20
PDB_00571 0.87 0.80 0.95 20 3300 1 1 0 0 5
PDB_00713 - 0.58 0.57 0.60 12 1996 8 1 7 0 9
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 1 0 0 1 6
PDB_00829 0.84 0.75 0.95 18 2259 1 0 1 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 - 0.73 0.60 0.90 9 1071 1 0 1 0 6
PDB_00874 - -0.02 0.00 0.00 0 928 19 0 18 1 20
PDB_00886 - -0.01 0.00 0.00 0 4146 40 0 40 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 0.81 0.74 0.89 17 2259 3 1 1 1 6
PDB_01040 - 0.29 0.30 0.30 6 1108 14 0 14 0 14
PDB_01059 - 0.75 0.57 1.00 4 227 0 0 0 0 3
PDB_01070 - 0.41 0.37 0.45 20 12676 24 0 24 0 34
PDB_01073 0.86 0.74 1.00 25 4346 1 0 0 1 9
PDB_01092 0.70 0.65 0.76 34 10108 14 2 9 3 18
PDB_01194 - -0.03 0.00 0.00 0 485 11 0 11 0 15
PDB_01201 - 0.85 0.73 1.00 16 1112 0 0 0 0 6
PDB_01203 - 0.70 0.68 0.72 13 1158 5 3 2 0 6
PDB_01250 - 0.17 0.15 0.21 6 12061 23 5 18 0 35
PDB_01260 - 0.64 0.56 0.74 14 1811 5 1 4 0 11
PDB_01281 - -0.04 0.00 0.00 0 364 14 0 14 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 9117 64 9 54 1 39
RFA_00632 0.38 0.39 0.37 11 4065 19 0 19 0 17
RFA_00636 0.60 0.64 0.56 18 3973 14 4 10 0 10
RFA_00767 0.74 0.56 1.00 10 1881 2 0 0 2 8
RFA_00768 0.45 0.44 0.47 8 1874 9 1 8 0 10
RFA_00769 0.54 0.56 0.53 10 1934 9 4 5 0 8
RFA_00770 0.68 0.56 0.83 10 2004 5 0 2 3 8
RFA_00773 0.71 0.56 0.91 10 1942 4 1 0 3 8
RFA_00779 0.68 0.56 0.83 10 1941 2 0 2 0 8
RFA_00808 0.68 0.56 0.82 9 2005 2 0 2 0 7
RFA_00809 0.40 0.38 0.43 6 2131 8 0 8 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.