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 0.486 > 0.415
Average MCC ± 95% Confidence Intervals 0.633 ± 0.106 < 0.636 ± 0.119
Sensitivity 0.529 > 0.382
Positive Predictive Value 0.448 < 0.451
Total TP 1475 > 1066
Total TN 4982870 < 4983803
Total FP 2209 > 1431
Total FP CONTRA 546 > 284
Total FP INCONS 1275 > 1013
Total FP COMP 388 > 134
Total FN 1313 < 1722
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 1475
Total TN 4982870
Total FP 2209
Total FP CONTRA 546
Total FP INCONS 1275
Total FP COMP 388
Total FN 1313
Total Scores
MCC 0.486
Average MCC ± 95% Confidence Intervals 0.633 ± 0.106
Sensitivity 0.529
Positive Predictive Value 0.448
Nr of predictions 31

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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
2KFC_A - 0.77 0.88 0.70 7 226 3 2 1 0 1
2KRL_A - 0.85 0.87 0.83 20 2000 12 4 0 8 3
2LC8_A 0.66 0.61 0.73 11 513 4 2 2 0 7
2RP0_A - 0.87 1.00 0.78 7 107 2 2 0 0 0
2WDL_A - 0.47 0.49 0.45 389 1444457 514 87 389 38 399
2ZZN_D 0.93 0.95 0.91 21 961 2 2 0 0 1
3A2K_C 0.47 0.50 0.46 11 1084 13 3 10 0 11
3A3A_A 0.97 0.93 1.00 28 1472 0 0 0 0 2
3ADB_C - 0.35 0.36 0.36 12 1786 21 1 20 0 21
3GCA_A - 0.84 0.71 1.00 5 153 0 0 0 0 2
3GX2_A 0.80 0.79 0.81 22 1422 6 2 3 1 6
3IVN_B 0.91 0.83 1.00 19 884 0 0 0 0 4
3IWN_A 0.21 0.21 0.24 6 1447 19 1 18 0 22
3IYQ_A 0.24 0.33 0.17 17 22340 94 45 38 11 34
3IZ4_A 0.56 0.60 0.52 57 25426 57 25 28 4 38
3J0L_a - 0.18 0.18 0.22 2 402 8 3 4 1 9
3JYV_7 -0.02 0.00 0.00 0 1089 22 4 18 0 20
3JYX_5 - 0.37 0.46 0.29 220 1968248 778 241 293 244 261
3KIY_A - 0.47 0.50 0.45 393 1485010 525 91 386 48 393
3LA5_A 0.91 0.84 1.00 21 933 0 0 0 0 4
3NKB_B - 0.69 0.74 0.67 14 714 7 0 7 0 5
3NPB_A 0.93 0.86 1.00 32 2246 4 0 0 4 5
3O58_3 0.41 0.50 0.34 11 4732 35 6 15 14 11
3PDR_A 0.90 0.90 0.90 45 4790 7 2 3 2 5
3RKF_A 0.91 0.83 1.00 20 846 0 0 0 0 4
3SD1_A 0.73 0.72 0.75 21 1505 7 4 3 0 8
3U4M_B - 0.49 0.55 0.46 12 1250 14 3 11 0 10
4A1C_2 0.18 0.25 0.14 5 4480 43 11 20 12 15
4AOB_A 0.60 0.59 0.63 17 1410 11 4 6 1 12
4ENB_A 1.00 1.00 1.00 15 457 0 0 0 0 0
4ENC_A 0.97 1.00 0.94 15 480 1 1 0 0 0

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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 1066
Total TN 4983803
Total FP 1431
Total FP CONTRA 284
Total FP INCONS 1013
Total FP COMP 134
Total FN 1722
Total Scores
MCC 0.415
Average MCC ± 95% Confidence Intervals 0.636 ± 0.119
Sensitivity 0.382
Positive Predictive Value 0.451
Nr of predictions 31

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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
2KFC_A - 0.79 0.63 1.00 5 231 0 0 0 0 3
2KRL_A - 0.75 0.83 0.68 19 1996 15 7 2 6 4
2LC8_A 0.64 0.61 0.69 11 512 5 1 4 0 7
2RP0_A - 0.84 0.71 1.00 5 111 0 0 0 0 2
2WDL_A - 0.37 0.37 0.36 294 1444515 545 84 429 32 494
2ZZN_D 0.93 0.95 0.91 21 961 2 2 0 0 1
3A2K_C 0.98 0.95 1.00 21 1087 0 0 0 0 1
3A3A_A 0.97 0.93 1.00 28 1472 0 0 0 0 2
3ADB_C - 0.98 0.97 1.00 32 1787 1 0 0 1 1
3GCA_A - 0.84 0.71 1.00 5 153 0 0 0 0 2
3GX2_A 0.56 0.57 0.57 16 1421 13 4 8 1 12
3IVN_B 0.91 0.83 1.00 19 884 0 0 0 0 4
3IWN_A 0.21 0.21 0.24 6 1447 19 2 17 0 22
3IYQ_A 0.22 0.31 0.15 16 22335 100 45 44 11 35
3IZ4_A 0.46 0.46 0.47 44 25442 56 14 36 6 51
3J0L_a - 0.21 0.18 0.29 2 404 6 3 2 1 9
3JYV_7 -0.02 0.00 0.00 0 1091 20 4 16 0 20
3JYX_5 - 0.00 0.00 0.00 0 1969002 0 0 0 0 481
3KIY_A - 0.38 0.38 0.38 302 1485090 544 83 405 56 484
3LA5_A 0.91 0.84 1.00 21 933 0 0 0 0 4
3NKB_B - 0.42 0.42 0.44 8 717 10 2 8 0 11
3NPB_A 0.90 0.81 1.00 30 2248 5 0 0 5 7
3O58_3 0.30 0.36 0.25 8 4732 27 15 9 3 14
3PDR_A 0.83 0.80 0.87 40 4794 9 2 4 3 10
3RKF_A 0.91 0.83 1.00 20 846 0 0 0 0 4
3SD1_A 0.82 0.83 0.83 24 1504 5 1 4 0 5
3U4M_B - 0.95 0.91 1.00 20 1256 2 0 0 2 2
4A1C_2 0.19 0.25 0.16 5 4484 33 11 16 6 15
4AOB_A 0.50 0.48 0.54 14 1411 13 3 9 1 15
4ENB_A 1.00 1.00 1.00 15 457 0 0 0 0 0
4ENC_A 0.97 1.00 0.94 15 480 1 1 0 0 0

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