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 Pknots - scored lower in this pairwise comparison

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


Overview

Metric McQFold Pknots
MCC 0.726 > 0.703
Average MCC ± 95% Confidence Intervals 0.742 ± 0.055 > 0.738 ± 0.056
Sensitivity 0.717 < 0.731
Positive Predictive Value 0.744 > 0.687
Total TP 1572 < 1602
Total TN 131927 > 131709
Total FP 747 < 967
Total FP CONTRA 175 < 232
Total FP INCONS 367 < 498
Total FP COMP 205 < 237
Total FN 621 > 591
P-value 3.85233844192e-08

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Performance plots


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

  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 Pknots).

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

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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 1572
Total TN 131927
Total FP 747
Total FP CONTRA 175
Total FP INCONS 367
Total FP COMP 205
Total FN 621
Total Scores
MCC 0.726
Average MCC ± 95% Confidence Intervals 0.742 ± 0.055
Sensitivity 0.717
Positive Predictive Value 0.744
Nr of predictions 129

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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
2K5Z_A - 0.59 0.36 1.00 4 182 0 0 0 0 7
2K63_A - 1.00 1.00 1.00 9 159 0 0 0 0 0
2K66_A - 1.00 1.00 1.00 9 80 0 0 0 0 0
2KD8_A - 1.00 1.00 1.00 9 99 1 0 0 1 0
2KDQ_B 1.00 1.00 1.00 10 164 0 0 0 0 0
2KE6_A 0.91 0.83 1.00 15 452 1 0 0 1 3
2KEZ_A - 1.00 1.00 1.00 8 94 0 0 0 0 0
2KFC_A - 0.79 0.63 1.00 5 231 0 0 0 0 3
2KGP_A - 0.81 0.67 1.00 6 115 1 0 0 1 3
2KMJ_A - 1.00 1.00 1.00 11 157 1 0 0 1 0
2KPV_A - 0.96 0.92 1.00 12 201 0 0 0 0 1
2KRL_A - 0.75 0.83 0.68 19 1996 15 7 2 6 4
2KU0_A - 0.86 0.75 1.00 9 283 0 0 0 0 3
2KUR_A 0.91 0.84 1.00 16 451 0 0 0 0 3
2KUU_A 0.91 0.83 1.00 15 432 1 0 0 1 3
2KUV_A 0.91 0.84 1.00 16 423 0 0 0 0 3
2KUW_A 0.94 0.89 1.00 16 454 0 0 0 0 2
2KX8_A 0.93 0.94 0.94 15 355 1 0 1 0 1
2KXM_A - 0.78 0.63 1.00 5 144 0 0 0 0 3
2KZL_A - 1.00 1.00 1.00 13 507 2 0 0 2 0
2L1F_A 1.00 1.00 1.00 23 740 0 0 0 0 0
2L1F_B 1.00 1.00 1.00 24 767 0 0 0 0 0
2L2K_A - 1.00 1.00 1.00 17 332 1 0 0 1 0
2L3C_B - 1.00 1.00 1.00 14 225 1 0 0 1 0
2L3E_A - 1.00 1.00 1.00 12 228 2 0 0 2 0
2L3J_B 0.95 0.90 1.00 27 958 0 0 0 0 3
2L5Z_A - 1.00 1.00 1.00 9 102 0 0 0 0 0
2L94_A 1.00 1.00 1.00 18 339 1 0 0 1 0
2LA5_A - 0.77 0.71 0.83 5 269 1 0 1 0 2
2LBS_A - 1.00 1.00 1.00 14 193 1 0 0 1 0
2LC8_A 0.64 0.61 0.69 11 512 5 1 4 0 7
2LDL_A - 0.81 0.67 1.00 6 134 0 0 0 0 3
2LDT_A - 0.79 0.64 1.00 7 155 0 0 0 0 4
2LHP_A - 1.00 1.00 1.00 15 246 1 0 0 1 0
2LJJ_A - 1.00 1.00 1.00 7 123 3 0 0 3 0
2LK3_A - 1.00 1.00 1.00 9 91 0 0 0 0 0
2LKR_A - 0.55 0.55 0.55 16 2411 15 5 8 2 13
2LQZ_A - 1.00 1.00 1.00 8 124 3 0 0 3 0
2LWK_A - 0.95 0.91 1.00 10 197 2 0 0 2 1
2RP0_A - 0.84 0.71 1.00 5 111 0 0 0 0 2
2RPT_A - 1.00 1.00 1.00 7 65 0 0 0 0 0
2RRC_A - 0.83 0.71 1.00 5 70 0 0 0 0 2
2WRQ_Y 1.00 1.00 1.00 9 1143 14 0 0 14 0
2WW9_D - 0.44 0.40 0.50 4 733 9 4 0 5 6
2WW9_E - -0.03 0.00 0.00 0 168 5 0 4 1 5
2WW9_F - 0.86 0.75 1.00 6 106 1 0 0 1 2
2WWQ_V 0.00 0.00 0.00 0 1204 0 0 0 0 19
2XKV_B 0.33 0.36 0.31 4 1822 27 2 7 18 7
2XQD_Y 0.98 0.95 1.00 20 1109 1 0 0 1 1
2XXA_G 0.27 0.26 0.30 9 2015 22 0 21 1 26
2Y8W_B - 1.00 1.00 1.00 6 82 2 0 0 2 0
2Y9C_V - 0.72 0.72 0.72 13 888 8 0 5 3 5
2YIE_X - 0.53 0.57 0.50 4 536 6 1 3 2 3
2YIE_Z - 0.53 0.63 0.45 5 591 6 4 2 0 3
2ZY6_A - 0.66 0.78 0.58 7 264 5 3 2 0 2
2ZZM_B 0.18 0.20 0.19 3 1342 22 4 9 9 12
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
3AKZ_H 0.78 0.80 0.76 16 1106 7 2 3 2 4
3AM1_B - 1.00 1.00 1.00 29 1437 1 0 0 1 0
3AMU_B 0.86 0.79 0.94 15 1141 4 0 1 3 4
3DW4_A - -0.03 0.00 0.00 0 137 3 0 3 0 6
3G4S_9 0.39 0.42 0.37 11 2706 22 6 13 3 15
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
3HAY_E - 1.00 1.00 1.00 14 910 4 0 0 4 0
3HJW_D - 0.94 0.94 0.94 15 593 3 0 1 2 1
3IAB_R - 1.00 1.00 1.00 12 373 0 0 0 0 0
3ID5_D - 0.66 0.60 0.75 3 225 6 0 1 5 2
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
3IZF_C 0.85 0.83 0.88 29 2607 7 0 4 3 6
3J0L_g - -0.01 0.00 0.00 0 174 4 0 2 2 2
3J0L_h - 0.75 0.66 0.88 21 2116 3 0 3 0 11
3J0L_7 - -0.02 0.00 0.00 0 509 10 2 8 0 10
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_a - 0.21 0.18 0.29 2 404 6 3 2 1 9
3J0L_2 - 0.29 0.31 0.30 8 2223 21 1 18 2 18
3J0L_1 - 0.73 0.62 0.89 8 475 4 0 1 3 5
3J16_L 0.90 0.81 1.00 17 1142 0 0 0 0 4
3J20_0 0.74 0.76 0.73 16 1197 7 3 3 1 5
3J20_1 1.00 1.00 1.00 20 1092 1 0 0 1 0
3J2L_3 0.71 0.68 0.74 23 2989 11 0 8 3 11
3JYV_7 -0.02 0.00 0.00 0 1091 20 4 16 0 20
3JYX_4 0.35 0.58 0.22 7 4724 33 17 8 8 5
3JYX_3 0.28 0.40 0.20 6 2348 24 17 7 0 9
3KTW_C - 0.52 0.52 0.54 13 1756 17 2 9 6 12
3LA5_A 0.91 0.84 1.00 21 933 0 0 0 0 4
3NDB_M - 0.97 0.95 0.98 42 3671 5 0 1 4 2
3NKB_B - 0.42 0.42 0.44 8 717 10 2 8 0 11
3NMU_E - 0.57 0.33 1.00 1 215 3 0 0 3 2
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
3O58_2 0.93 0.87 1.00 27 2727 2 0 0 2 4
3OVB_D - 1.00 1.00 1.00 11 215 1 0 0 1 0
3OVS_D - 1.00 1.00 1.00 12 204 0 0 0 0 0
3P22_G - 1.00 1.00 1.00 11 301 0 0 0 0 0
3PDR_A 0.83 0.80 0.87 40 4794 9 2 4 3 10
3R4F_A - 1.00 1.00 1.00 22 884 2 0 0 2 0
3R9X_C - 1.00 1.00 1.00 8 221 2 0 0 2 0
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
3SIU_F - 0.86 0.75 1.00 6 139 0 0 0 0 2
3SN2_B 0.95 0.92 1.00 11 143 0 0 0 0 1
3TRZ_Z - 1.00 1.00 1.00 5 87 2 0 0 2 0
3TS0_U - 1.00 1.00 1.00 6 112 1 0 0 1 0
3TS2_V - 1.00 1.00 1.00 5 103 0 0 0 0 0
3U4M_B - 0.95 0.91 1.00 20 1256 2 0 0 2 2
3UZL_B 0.62 0.75 0.52 12 1270 17 8 3 6 4
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
3W3S_B 0.49 0.45 0.54 15 1961 14 1 12 1 18
3ZEX_H - 0.27 0.37 0.21 7 3591 30 14 13 3 12
3ZEX_D 0.76 0.66 0.88 23 2770 6 1 2 3 12
3ZEX_G - 0.36 0.40 0.34 18 6454 40 11 24 5 27
3ZEX_F - 0.00 0.00 0.00 0 910 9 0 4 5 4
3ZEX_C 0.33 0.34 0.32 10 5343 25 4 17 4 19
4A1C_3 0.28 0.30 0.28 11 2724 30 4 24 2 26
4A1C_2 0.19 0.25 0.16 5 4484 33 11 16 6 15
4A4U_A - 1.00 1.00 1.00 9 96 0 0 0 0 0
4AOB_A 0.50 0.48 0.54 14 1411 13 3 9 1 15
4ATO_G - -0.03 0.00 0.00 0 215 5 0 5 0 7
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
4FNJ_A - -0.04 0.00 0.00 0 243 7 0 7 0 12
4FRG_B 0.93 0.88 1.00 21 1181 0 0 0 0 3
4FRN_A 0.82 0.71 0.95 20 1827 1 1 0 0 8
4HXH_A - 1.00 1.00 1.00 6 89 0 0 0 0 0

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Performance of Pknots - scored lower in this pairwise comparison

1. Total counts & total scores for Pknots

Total Base Pair Counts
Total TP 1602
Total TN 131709
Total FP 967
Total FP CONTRA 232
Total FP INCONS 498
Total FP COMP 237
Total FN 591
Total Scores
MCC 0.703
Average MCC ± 95% Confidence Intervals 0.738 ± 0.056
Sensitivity 0.731
Positive Predictive Value 0.687
Nr of predictions 129

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
2K5Z_A - 0.90 0.82 1.00 9 177 0 0 0 0 2
2K63_A - 1.00 1.00 1.00 9 159 0 0 0 0 0
2K66_A - 1.00 1.00 1.00 9 80 0 0 0 0 0
2KD8_A - 1.00 1.00 1.00 9 99 0 0 0 0 0
2KDQ_B 1.00 1.00 1.00 10 164 0 0 0 0 0
2KE6_A 1.00 1.00 1.00 18 449 1 0 0 1 0
2KEZ_A - 1.00 1.00 1.00 8 94 0 0 0 0 0
2KFC_A - 0.17 0.25 0.17 2 224 10 3 7 0 6
2KGP_A - 0.81 0.67 1.00 6 115 1 0 0 1 3
2KMJ_A - 1.00 1.00 1.00 11 157 0 0 0 0 0
2KPV_A - 0.96 0.92 1.00 12 201 0 0 0 0 1
2KRL_A - 0.79 0.83 0.76 19 1999 13 5 1 7 4
2KU0_A - -0.04 0.00 0.00 0 282 10 0 10 0 12
2KUR_A 1.00 1.00 1.00 19 448 0 0 0 0 0
2KUU_A 1.00 1.00 1.00 18 429 1 0 0 1 0
2KUV_A 1.00 1.00 1.00 19 420 0 0 0 0 0
2KUW_A 1.00 1.00 1.00 18 452 1 0 0 1 0
2KX8_A 1.00 1.00 1.00 16 355 0 0 0 0 0
2KXM_A - -0.04 0.00 0.00 0 144 5 0 5 0 8
2KZL_A - 0.66 0.69 0.64 9 506 6 2 3 1 4
2L1F_A 1.00 1.00 1.00 23 740 0 0 0 0 0
2L1F_B 1.00 1.00 1.00 24 767 0 0 0 0 0
2L2K_A - 1.00 1.00 1.00 17 332 0 0 0 0 0
2L3C_B - 0.96 0.93 1.00 13 226 0 0 0 0 1
2L3E_A - 1.00 1.00 1.00 12 228 1 0 0 1 0
2L3J_B 1.00 1.00 1.00 30 955 0 0 0 0 0
2L5Z_A - 1.00 1.00 1.00 9 102 0 0 0 0 0
2L94_A 0.94 0.94 0.94 17 339 2 0 1 1 1
2LA5_A - 0.77 0.71 0.83 5 269 1 0 1 0 2
2LBS_A - 1.00 1.00 1.00 14 193 0 0 0 0 0
2LC8_A 0.83 0.83 0.83 15 510 3 2 1 0 3
2LDL_A - 1.00 1.00 1.00 9 131 1 0 0 1 0
2LDT_A - 1.00 1.00 1.00 11 151 0 0 0 0 0
2LHP_A - 1.00 1.00 1.00 15 246 0 0 0 0 0
2LJJ_A - 1.00 1.00 1.00 7 123 3 0 0 3 0
2LK3_A - 1.00 1.00 1.00 9 91 0 0 0 0 0
2LKR_A - 0.48 0.55 0.43 16 2403 23 9 12 2 13
2LQZ_A - 1.00 1.00 1.00 8 124 2 0 0 2 0
2LWK_A - 0.38 0.27 0.60 3 202 3 0 2 1 8
2RP0_A - 0.87 1.00 0.78 7 107 2 2 0 0 0
2RPT_A - 1.00 1.00 1.00 7 65 0 0 0 0 0
2RRC_A - 0.92 0.86 1.00 6 69 0 0 0 0 1
2WRQ_Y 1.00 1.00 1.00 9 1143 13 0 0 13 0
2WW9_D - 0.52 0.60 0.46 6 728 13 5 2 6 4
2WW9_E - 0.79 0.80 0.80 4 167 3 0 1 2 1
2WW9_F - 0.68 0.75 0.67 6 103 4 1 2 1 2
2WWQ_V 0.29 0.32 0.29 6 1183 16 3 12 1 13
2XKV_B 0.21 0.27 0.17 3 1817 33 3 12 18 8
2XQD_Y 0.98 0.95 1.00 20 1109 1 0 0 1 1
2XXA_G 0.32 0.34 0.32 12 2008 26 1 24 1 23
2Y8W_B - 1.00 1.00 1.00 6 82 1 0 0 1 0
2Y9C_V - 0.70 0.67 0.75 12 890 6 0 4 2 6
2YIE_X - 0.53 0.57 0.50 4 536 6 1 3 2 3
2YIE_Z - -0.02 0.00 0.00 0 587 15 6 9 0 8
2ZY6_A - 0.66 0.78 0.58 7 264 5 3 2 0 2
2ZZM_B 0.18 0.20 0.19 3 1342 23 4 9 10 12
2ZZN_D 0.95 0.95 0.95 21 962 1 1 0 0 1
3A2K_C 0.50 0.55 0.48 12 1083 13 3 10 0 10
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 0 0 0 0 1
3AKZ_H 1.00 1.00 1.00 20 1107 2 0 0 2 0
3AM1_B - 1.00 1.00 1.00 29 1437 0 0 0 0 0
3AMU_B 1.00 1.00 1.00 19 1138 3 0 0 3 0
3DW4_A - 0.91 0.83 1.00 5 135 0 0 0 0 1
3G4S_9 0.37 0.46 0.31 12 2697 27 14 13 0 14
3GCA_A - 0.66 0.57 0.80 4 153 3 0 1 2 3
3GX2_A 0.55 0.57 0.55 16 1420 14 4 9 1 12
3HAY_E - 1.00 1.00 1.00 14 910 6 0 0 6 0
3HJW_D - 1.00 1.00 1.00 16 593 3 0 0 3 0
3IAB_R - 1.00 1.00 1.00 12 373 4 0 0 4 0
3ID5_D - -0.02 0.00 0.00 0 224 5 1 4 0 5
3IVN_B 0.91 0.87 0.95 20 882 1 0 1 0 3
3IWN_A 0.22 0.21 0.25 6 1448 18 2 16 0 22
3IZF_C 0.89 0.91 0.86 32 2603 9 0 5 4 3
3J0L_g - -0.02 0.00 0.00 0 171 5 3 2 0 2
3J0L_h - 0.67 0.66 0.70 21 2110 11 4 5 2 11
3J0L_7 - 0.38 0.50 0.31 5 503 12 3 8 1 5
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_a - 0.35 0.36 0.36 4 400 8 3 4 1 7
3J0L_2 - 0.44 0.46 0.43 12 2222 23 1 15 7 14
3J0L_1 - 0.73 0.62 0.89 8 475 3 0 1 2 5
3J16_L 0.41 0.43 0.41 9 1137 13 1 12 0 12
3J20_0 0.95 0.95 0.95 20 1198 2 1 0 1 1
3J20_1 1.00 1.00 1.00 20 1092 1 0 0 1 0
3J2L_3 0.79 0.79 0.79 27 2986 12 1 6 5 7
3JYV_7 0.97 0.95 1.00 19 1092 2 0 0 2 1
3JYX_4 0.33 0.58 0.19 7 4720 41 22 7 12 5
3JYX_3 0.37 0.53 0.27 8 2348 26 17 5 4 7
3KTW_C - 0.63 0.68 0.59 17 1751 18 3 9 6 8
3LA5_A 0.94 0.88 1.00 22 932 0 0 0 0 3
3NDB_M - 0.92 0.93 0.91 41 3669 8 3 1 4 3
3NKB_B - 0.64 0.68 0.62 13 714 8 0 8 0 6
3NMU_E - 1.00 1.00 1.00 3 213 5 0 0 5 0
3NPB_A 0.84 0.81 0.88 30 2244 9 0 4 5 7
3O58_3 0.32 0.45 0.24 10 4722 39 18 14 7 12
3O58_2 0.93 0.90 0.97 28 2725 3 0 1 2 3
3OVB_D - 1.00 1.00 1.00 11 215 1 0 0 1 0
3OVS_D - 1.00 1.00 1.00 12 204 0 0 0 0 0
3P22_G - 1.00 1.00 1.00 11 301 0 0 0 0 0
3PDR_A 0.64 0.64 0.65 32 4791 19 4 13 2 18
3R4F_A - 1.00 1.00 1.00 22 884 1 0 0 1 0
3R9X_C - 0.87 0.88 0.88 7 221 5 0 1 4 1
3RKF_A 0.91 0.88 0.95 21 844 1 0 1 0 3
3SD1_A 0.78 0.76 0.81 22 1506 5 1 4 0 7
3SIU_F - 0.86 0.75 1.00 6 139 0 0 0 0 2
3SN2_B 0.95 0.92 1.00 11 143 0 0 0 0 1
3TRZ_Z - 1.00 1.00 1.00 5 87 1 0 0 1 0
3TS0_U - 1.00 1.00 1.00 6 112 1 0 0 1 0
3TS2_V - 1.00 1.00 1.00 5 103 0 0 0 0 0
3U4M_B - 0.33 0.36 0.32 8 1251 17 4 13 0 14
3UZL_B 1.00 1.00 1.00 16 1277 7 0 0 7 0
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
3W3S_B 0.78 0.76 0.81 25 1958 7 1 5 1 8
3ZEX_H - 0.26 0.37 0.19 7 3588 33 14 16 3 12
3ZEX_D 0.31 0.34 0.30 12 2756 28 5 23 0 23
3ZEX_G - 0.45 0.49 0.42 22 6455 39 9 21 9 23
3ZEX_F - 0.00 0.00 0.00 0 910 12 0 4 8 4
3ZEX_C 0.10 0.14 0.08 4 5322 54 13 35 6 25
4A1C_3 0.28 0.30 0.28 11 2723 30 4 25 1 26
4A1C_2 0.33 0.40 0.29 8 4488 36 9 11 16 12
4A4U_A - 1.00 1.00 1.00 9 96 0 0 0 0 0
4AOB_A 0.19 0.21 0.21 6 1409 23 3 19 1 23
4ATO_G - 0.36 0.43 0.33 3 211 6 6 0 0 4
4ENB_A 1.00 1.00 1.00 15 457 2 0 0 2 0
4ENC_A 0.97 1.00 0.94 15 480 1 1 0 0 0
4FNJ_A - -0.04 0.00 0.00 0 240 10 0 10 0 12
4FRG_B 0.55 0.50 0.63 12 1183 7 0 7 0 12
4FRN_A 0.57 0.54 0.63 15 1824 9 3 6 0 13
4HXH_A - 1.00 1.00 1.00 6 89 0 0 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.