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

  1. Overview

  2. Performance Plots

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

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

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


Overview

Metric PknotsRG McQFold
MCC 0.433 > 0.368
Average MCC ± 95% Confidence Intervals 0.549 ± 0.064 > 0.512 ± 0.077
Sensitivity 0.389 > 0.281
Positive Predictive Value 0.482 > 0.481
Total TP 2029 > 1467
Total TN 13351000 < 13352159
Total FP 2338 > 1634
Total FP CONTRA 301 > 134
Total FP INCONS 1877 > 1447
Total FP COMP 160 > 53
Total FN 3184 < 3746
P-value 3.56938820447e-08

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Performance plots


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

  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 PknotsRG and McQFold).

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

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Performance of PknotsRG - scored higher in this pairwise comparison

1. Total counts & total scores for PknotsRG

Total Base Pair Counts
Total TP 2029
Total TN 13351000
Total FP 2338
Total FP CONTRA 301
Total FP INCONS 1877
Total FP COMP 160
Total FN 3184
Total Scores
MCC 0.433
Average MCC ± 95% Confidence Intervals 0.549 ± 0.064
Sensitivity 0.389
Positive Predictive Value 0.482
Nr of predictions 58

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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
2KDQ_B 0.95 0.91 1.00 10 396 0 0 0 0 1
2KFC_A - 0.48 0.35 0.70 7 620 3 0 3 0 13
2KRL_A - 0.72 0.60 0.86 24 5123 8 2 2 4 16
2KX8_A 0.94 0.89 1.00 16 845 0 0 0 0 2
2LA5_A - 0.39 0.26 0.63 5 622 3 1 2 0 14
2LC8_A 0.63 0.55 0.73 11 1525 4 1 3 0 9
2LKR_A - 0.73 0.69 0.77 27 6070 8 2 6 0 12
2RP0_A - 0.66 0.58 0.78 7 342 2 1 1 0 5
2WDL_A - 0.39 0.34 0.45 409 3937319 494 25 468 1 795
2WRQ_Y 0.53 0.53 0.53 9 2833 13 5 3 5 8
2WW9_F - 0.69 0.70 0.70 7 290 3 0 3 0 3
2WW9_E - 0.53 0.29 1.00 4 557 0 0 0 0 10
2WW9_D - 0.14 0.12 0.19 3 1937 13 0 13 0 23
2WWQ_V 0.76 0.68 0.86 19 2904 5 0 3 2 9
2XQD_Y 0.88 0.78 1.00 21 2829 0 0 0 0 6
2ZZM_B 0.21 0.19 0.25 6 3462 18 0 18 0 26
2ZZN_D 0.84 0.78 0.91 21 2462 2 0 2 0 6
3A2K_C 0.42 0.39 0.46 11 2902 13 2 11 0 17
3A3A_A 0.87 0.76 1.00 28 3627 0 0 0 0 9
3ADB_C - 0.33 0.32 0.36 12 4153 21 0 21 0 26
3AKZ_H 0.41 0.39 0.44 11 2676 14 4 10 0 17
3AM1_B - 0.68 0.63 0.73 22 3210 8 1 7 0 13
3AMU_B 0.70 0.59 0.84 16 2984 5 0 3 2 11
3G4S_9 0.54 0.42 0.71 24 7347 10 1 9 0 33
3GCA_A - 0.54 0.29 1.00 5 523 0 0 0 0 12
3GX2_A 0.67 0.55 0.81 22 4344 6 0 5 1 18
3IVN_B 0.78 0.61 1.00 19 2327 0 0 0 0 12
3IWN_A 0.20 0.18 0.24 6 4253 19 1 18 0 27
3IYQ_A 0.31 0.33 0.28 31 60617 80 24 54 2 63
3IZ4_A 0.51 0.47 0.55 62 70763 52 10 41 1 70
3IZF_C 0.59 0.52 0.67 28 6861 14 1 13 0 26
3J0L_g - -0.01 0.00 0.00 0 461 4 1 3 0 4
3J0L_2 - 0.24 0.24 0.24 8 6183 27 2 23 2 25
3J0L_7 - 0.28 0.29 0.29 5 1208 12 0 12 0 12
3J0L_a - 0.23 0.19 0.30 3 1118 7 1 6 0 13
3J16_L 0.75 0.57 1.00 17 2758 0 0 0 0 13
3JYV_7 -0.01 0.00 0.00 0 2828 22 1 21 0 32
3JYX_3 0.62 0.63 0.61 17 6300 22 1 10 11 10
3JYX_4 0.31 0.30 0.32 10 12215 33 5 16 12 23
3JYX_5 - 0.31 0.32 0.31 284 5021948 714 166 467 81 609
3KIY_A - 0.39 0.33 0.45 413 4053217 505 24 474 7 828
3KTW_C - 0.77 0.65 0.90 28 4529 4 2 1 1 15
3LA5_A 0.78 0.62 1.00 21 2464 0 0 0 0 13
3NDB_M - 0.77 0.69 0.86 42 9131 8 0 7 1 19
3NKB_B - 0.59 0.54 0.67 14 1995 7 0 7 0 12
3NPB_A 0.83 0.72 0.97 33 6987 3 0 1 2 13
3O58_3 0.34 0.34 0.34 12 12368 34 2 21 11 23
3O58_2 0.59 0.61 0.58 23 7220 19 4 13 2 15
3PDR_A 0.75 0.63 0.90 45 12830 7 1 4 2 27
3RKF_A 0.76 0.59 1.00 20 2191 0 0 0 0 14
3SD1_A 0.61 0.50 0.75 21 3888 7 1 6 0 21
3U4M_B - 0.38 0.32 0.46 12 3134 14 0 14 0 25
3UZL_B 0.48 0.38 0.61 14 3547 9 0 9 0 23
4A1C_3 0.70 0.59 0.82 32 7101 7 1 6 0 22
4A1C_2 0.14 0.15 0.13 5 11742 43 5 29 9 28
4AOB_A 0.50 0.40 0.63 17 4344 11 2 8 1 25
4ENB_A 0.89 0.79 1.00 15 1260 0 0 0 0 4
4ENC_A 0.86 0.79 0.94 15 1310 1 1 0 0 4

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Performance of McQFold - scored lower in this pairwise comparison

1. Total counts & total scores for McQFold

Total Base Pair Counts
Total TP 1467
Total TN 13352159
Total FP 1634
Total FP CONTRA 134
Total FP INCONS 1447
Total FP COMP 53
Total FN 3746
Total Scores
MCC 0.368
Average MCC ± 95% Confidence Intervals 0.512 ± 0.077
Sensitivity 0.281
Positive Predictive Value 0.481
Nr of predictions 58

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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
2KDQ_B 0.95 0.91 1.00 10 396 0 0 0 0 1
2KFC_A - 0.49 0.25 1.00 5 625 0 0 0 0 15
2KRL_A - 0.59 0.53 0.68 21 5120 13 3 7 3 19
2KX8_A 0.88 0.83 0.94 15 845 1 0 1 0 3
2LA5_A - 0.46 0.26 0.83 5 624 1 0 1 0 14
2LC8_A 0.61 0.55 0.69 11 1524 5 0 5 0 9
2LKR_A - 0.51 0.46 0.58 18 6074 13 2 11 0 21
2RP0_A - 0.64 0.42 1.00 5 346 0 0 0 0 7
2WDL_A - 0.31 0.26 0.37 308 3937383 531 27 503 1 896
2WRQ_Y 0.57 0.59 0.56 10 2832 13 5 3 5 7
2WW9_F - 0.71 0.60 0.86 6 293 1 0 1 0 4
2WW9_E - -0.01 0.00 0.00 0 556 5 0 5 0 14
2WW9_D - 0.32 0.23 0.46 6 1940 7 2 5 0 20
2WWQ_V 0.00 0.00 0.00 0 2926 0 0 0 0 28
2XQD_Y 0.88 0.78 1.00 21 2829 0 0 0 0 6
2ZZM_B 0.21 0.19 0.24 6 3461 19 2 17 0 26
2ZZN_D 0.84 0.78 0.91 21 2462 2 0 2 0 6
3A2K_C 0.86 0.75 1.00 21 2905 0 0 0 0 7
3A3A_A 0.87 0.76 1.00 28 3627 0 0 0 0 9
3ADB_C - 0.92 0.84 1.00 32 4154 1 0 0 1 6
3AKZ_H 0.68 0.61 0.77 17 2679 6 1 4 1 11
3AM1_B - 0.91 0.83 1.00 29 3211 1 0 0 1 6
3AMU_B 0.75 0.59 0.94 16 2986 3 0 1 2 11
3G4S_9 0.27 0.21 0.36 12 7348 21 1 20 0 45
3GCA_A - 0.54 0.29 1.00 5 523 0 0 0 0 12
3GX2_A 0.47 0.40 0.57 16 4343 13 1 11 1 24
3IVN_B 0.78 0.61 1.00 19 2327 0 0 0 0 12
3IWN_A 0.20 0.18 0.24 6 4253 19 2 17 0 27
3IYQ_A 0.28 0.31 0.26 29 60614 87 19 64 4 65
3IZ4_A 0.42 0.36 0.49 47 70780 53 6 43 4 85
3IZF_C 0.68 0.56 0.83 30 6867 6 0 6 0 24
3J0L_g - -0.01 0.00 0.00 0 461 4 1 3 0 4
3J0L_2 - 0.26 0.24 0.30 8 6189 21 0 19 2 25
3J0L_7 - -0.01 0.00 0.00 0 1215 10 0 10 0 17
3J0L_a - 0.26 0.19 0.38 3 1120 5 1 4 0 13
3J16_L 0.75 0.57 1.00 17 2758 0 0 0 0 13
3JYV_7 -0.01 0.00 0.00 0 2830 20 0 20 0 32
3JYX_3 0.21 0.22 0.20 6 6298 24 9 15 0 21
3JYX_4 0.20 0.21 0.19 7 12210 33 8 21 4 26
3JYX_5 - 0.00 0.00 0.00 0 5022865 0 0 0 0 893
3KIY_A - 0.31 0.26 0.38 317 4053291 529 22 498 9 924
3KTW_C - 0.36 0.30 0.45 13 4531 17 1 15 1 30
3LA5_A 0.78 0.62 1.00 21 2464 0 0 0 0 13
3NDB_M - 0.81 0.70 0.93 43 9134 4 1 2 1 18
3NKB_B - 0.36 0.31 0.44 8 1998 10 1 9 0 18
3NPB_A 0.81 0.67 0.97 31 6989 4 1 0 3 15
3O58_3 0.26 0.26 0.26 9 12368 26 10 16 0 26
3O58_2 0.83 0.71 0.96 27 7232 2 0 1 1 11
3PDR_A 0.69 0.56 0.87 40 12834 9 0 6 3 32
3RKF_A 0.76 0.59 1.00 20 2191 0 0 0 0 14
3SD1_A 0.71 0.60 0.86 25 3887 4 0 4 0 17
3U4M_B - 0.73 0.57 0.95 21 3138 1 0 1 0 16
3UZL_B 0.45 0.41 0.52 15 3541 14 0 14 0 22
4A1C_3 0.25 0.22 0.29 12 7099 29 1 28 0 42
4A1C_2 0.15 0.15 0.15 5 11748 33 5 23 5 28
4AOB_A 0.42 0.33 0.54 14 4345 13 1 11 1 28
4ENB_A 0.89 0.79 1.00 15 1260 0 0 0 0 4
4ENC_A 0.86 0.79 0.94 15 1310 1 1 0 0 4

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