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

  1. Overview

  2. Performance Plots

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

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

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


Overview

Metric CentroidFold Pknots
MCC 0.772 > 0.689
Average MCC ± 95% Confidence Intervals 0.771 ± 0.051 > 0.718 ± 0.058
Sensitivity 0.764 > 0.718
Positive Predictive Value 0.787 > 0.670
Total TP 1770 > 1664
Total TN 148304 > 148069
Total FP 731 < 1092
Total FP CONTRA 146 < 253
Total FP INCONS 332 < 566
Total FP COMP 253 < 273
Total FN 546 < 652
P-value 3.56938820447e-08

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Performance plots


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

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

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Performance of CentroidFold - scored higher in this pairwise comparison

1. Total counts & total scores for CentroidFold

Total Base Pair Counts
Total TP 1770
Total TN 148304
Total FP 731
Total FP CONTRA 146
Total FP INCONS 332
Total FP COMP 253
Total FN 546
Total Scores
MCC 0.772
Average MCC ± 95% Confidence Intervals 0.771 ± 0.051
Sensitivity 0.764
Positive Predictive Value 0.787
Nr of predictions 128

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
2KD8_A - 1.00 1.00 1.00 9 99 0 0 0 0 0
2KE6_A 1.00 1.00 1.00 18 449 1 0 0 1 0
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 - 0.91 0.87 0.95 20 2003 9 1 0 8 3
2KU0_A - 0.53 0.42 0.71 5 285 2 2 0 0 7
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 - 1.00 1.00 1.00 8 141 0 0 0 0 0
2KZL_A - 1.00 1.00 1.00 13 507 1 0 0 1 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 0 0 0 0 0
2L3C_B - 1.00 1.00 1.00 14 225 0 0 0 0 0
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 2 0 1 1 2
2LBS_A - 1.00 1.00 1.00 14 193 0 0 0 0 0
2LC8_A 0.51 0.39 0.70 7 518 3 1 2 0 11
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
2LI4_A - 1.00 1.00 1.00 14 175 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 - 0.88 0.86 0.89 25 2412 8 0 3 5 4
2LQZ_A - 1.00 1.00 1.00 8 124 2 0 0 2 0
2LU0_A - 0.93 0.88 1.00 14 424 0 0 0 0 2
2LWK_A - 1.00 1.00 1.00 11 196 1 0 0 1 0
2M58_A - -0.02 0.00 0.00 0 538 6 0 6 0 12
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 13 0 0 13 0
2WW9_E - 0.00 0.00 0.00 0 172 0 0 0 0 5
2WW9_F - 0.68 0.75 0.67 6 103 4 1 2 1 2
2WW9_D - 0.31 0.10 1.00 1 740 3 0 0 3 9
2WWQ_V 1.00 1.00 1.00 19 1185 3 0 0 3 0
2XKV_B 0.64 0.73 0.57 8 1821 27 0 6 21 3
2XQD_Y 0.83 0.81 0.85 17 1109 4 0 3 1 4
2XXA_G 0.13 0.11 0.17 4 2021 21 2 18 1 31
2Y8W_B - 1.00 1.00 1.00 6 82 1 0 0 1 0
2Y9C_V - 0.79 0.83 0.75 15 886 8 0 5 3 3
2YIE_Z - 0.53 0.63 0.45 5 591 6 4 2 0 3
2YIE_X - 1.00 1.00 1.00 7 537 3 0 0 3 0
2ZZM_B 0.13 0.13 0.15 2 1345 20 3 8 9 13
2ZZN_D 0.93 0.95 0.91 21 961 3 2 0 1 1
3A2K_C 0.49 0.55 0.46 12 1082 14 3 11 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 0.48 0.50 0.48 10 1106 13 3 8 2 10
3AM1_B - 0.74 0.76 0.73 22 1436 8 3 5 0 7
3AMU_B 0.81 0.79 0.83 15 1139 6 0 3 3 4
3GX2_A 0.94 0.89 1.00 25 1424 1 0 0 1 3
3IAB_R - 1.00 1.00 1.00 12 373 4 0 0 4 0
3ID5_D - -0.02 0.00 0.00 0 223 6 3 3 0 5
3IVN_B 0.91 0.83 1.00 19 884 0 0 0 0 4
3IWN_A 0.86 0.79 0.96 22 1449 1 0 1 0 6
3IZF_C 0.89 0.91 0.86 32 2603 11 0 5 6 3
3J0L_h - 0.89 0.88 0.90 28 2109 5 0 3 2 4
3J0L_g - 0.00 0.00 0.00 0 176 0 0 0 0 2
3J0L_a - 0.41 0.36 0.50 4 403 5 3 1 1 7
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_2 - 0.28 0.31 0.28 8 2221 24 2 19 3 18
3J0L_7 - -0.01 0.00 0.00 0 514 5 1 4 0 10
3J0L_1 - 0.73 0.62 0.89 8 475 3 0 1 2 5
3J16_L 0.59 0.57 0.63 12 1140 7 0 7 0 9
3J20_0 0.54 0.57 0.52 12 1196 12 3 8 1 9
3J20_1 1.00 1.00 1.00 20 1092 2 0 0 2 0
3J2L_3 0.74 0.76 0.72 26 2984 15 1 9 5 8
3J3D_C 0.73 0.79 0.68 15 946 7 3 4 0 4
3J3E_7 0.61 0.59 0.65 20 2710 13 2 9 2 14
3J3E_8 0.12 0.13 0.13 2 2726 22 4 10 8 13
3J3F_8 0.36 0.47 0.28 9 4729 37 12 11 14 10
3J3F_7 0.84 0.86 0.82 31 2896 9 1 6 2 5
3J3V_B 0.72 0.74 0.71 20 2628 16 1 7 8 7
3JYV_7 0.92 0.85 1.00 17 1094 2 0 0 2 3
3JYX_4 0.41 0.58 0.29 7 4732 25 11 6 8 5
3JYX_3 0.35 0.47 0.27 7 2352 21 14 5 2 8
3KTW_C - 0.58 0.60 0.58 15 1754 18 1 10 7 10
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 6 0 1 5 2
3NKB_B - 0.66 0.68 0.65 13 715 7 0 7 0 6
3NMU_E - 1.00 1.00 1.00 3 213 3 0 0 3 0
3NPB_A 0.87 0.84 0.91 31 2244 8 1 2 5 6
3O58_3 0.44 0.41 0.47 9 4745 11 1 9 1 13
3O58_2 0.95 0.94 0.97 29 2724 7 0 1 6 2
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 1 0 0 1 0
3PDR_A 0.88 0.86 0.90 43 4792 7 2 3 2 7
3R4F_A - 0.83 0.82 0.86 18 885 4 2 1 1 4
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 0.70 0.69 0.71 20 1505 8 4 4 0 9
3SIU_F - 0.93 0.88 1.00 7 138 0 0 0 0 1
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 - 0.81 0.77 0.85 17 1256 5 0 3 2 5
3UZL_B 0.93 0.88 1.00 14 1279 7 0 0 7 2
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
3W1K_J 0.97 0.97 0.97 30 1647 1 1 0 0 1
3W3S_B 0.95 0.91 1.00 30 1959 1 0 0 1 3
3ZEX_C 0.48 0.34 0.67 10 5359 6 1 4 1 19
3ZEX_G - 0.45 0.44 0.47 20 6464 32 6 17 9 25
3ZEX_D 0.88 0.86 0.91 30 2763 8 0 3 5 5
3ZEX_H - 0.27 0.37 0.21 7 3591 27 16 11 0 12
3ZEX_F - 0.00 0.00 0.00 0 910 9 0 4 5 4
3ZND_W 0.24 0.38 0.16 3 1172 25 9 7 9 5
4A1C_3 0.80 0.78 0.83 29 2728 8 0 6 2 8
4A1C_2 0.22 0.25 0.19 5 4490 29 9 12 8 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 - 0.61 0.57 0.67 4 214 2 0 2 0 3
4ENB_A 0.85 0.73 1.00 11 461 1 0 0 1 4
4ENC_A 0.85 0.73 1.00 11 485 1 0 0 1 4
4FNJ_A - 0.91 0.83 1.00 10 240 0 0 0 0 2
4FRG_B 0.75 0.71 0.81 17 1181 4 3 1 0 7
4FRN_A 0.80 0.71 0.91 20 1826 2 1 1 0 8
4HXH_A - 1.00 1.00 1.00 6 89 0 0 0 0 0
4JF2_A 0.89 0.79 1.00 19 1063 0 0 0 0 5
4JRC_A - 0.38 0.41 0.39 7 604 11 0 11 0 10

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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 1664
Total TN 148069
Total FP 1092
Total FP CONTRA 253
Total FP INCONS 566
Total FP COMP 273
Total FN 652
Total Scores
MCC 0.689
Average MCC ± 95% Confidence Intervals 0.718 ± 0.058
Sensitivity 0.718
Positive Predictive Value 0.670
Nr of predictions 128

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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
2KD8_A - 1.00 1.00 1.00 9 99 0 0 0 0 0
2KE6_A 1.00 1.00 1.00 18 449 1 0 0 1 0
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
2LI4_A - 1.00 1.00 1.00 14 175 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
2LU0_A - 1.00 1.00 1.00 16 422 0 0 0 0 0
2LWK_A - 0.38 0.27 0.60 3 202 3 0 2 1 8
2M58_A - 0.60 0.58 0.64 7 533 4 1 3 0 5
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_E - 0.79 0.80 0.80 4 167 3 0 1 2 1
2WW9_D - 0.52 0.60 0.46 6 728 13 5 2 6 4
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_Z - -0.02 0.00 0.00 0 587 15 6 9 0 8
2YIE_X - 0.53 0.57 0.50 4 536 6 1 3 2 3
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
3GX2_A 0.55 0.57 0.55 16 1420 14 4 9 1 12
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_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_1 - 0.73 0.62 0.89 8 475 3 0 1 2 5
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_g - -0.02 0.00 0.00 0 171 5 3 2 0 2
3J0L_2 - 0.44 0.46 0.43 12 2222 23 1 15 7 14
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
3J3D_C 0.46 0.53 0.42 10 944 14 5 9 0 9
3J3E_8 0.10 0.13 0.09 2 2720 33 5 15 13 13
3J3E_7 0.56 0.56 0.58 19 2708 16 2 12 2 15
3J3F_8 0.42 0.53 0.33 10 4731 37 10 10 17 9
3J3F_7 0.32 0.33 0.32 12 2896 27 2 24 1 24
3J3V_B 0.58 0.63 0.55 17 2625 20 3 11 6 10
3JYV_7 0.97 0.95 1.00 19 1092 2 0 0 2 1
3JYX_3 0.37 0.53 0.27 8 2348 26 17 5 4 7
3JYX_4 0.33 0.58 0.19 7 4720 41 22 7 12 5
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
3W1K_J 0.97 0.97 0.97 30 1647 1 1 0 0 1
3W3S_B 0.78 0.76 0.81 25 1958 7 1 5 1 8
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_H - 0.26 0.37 0.19 7 3588 33 14 16 3 12
3ZEX_C 0.10 0.14 0.08 4 5322 54 13 35 6 25
3ZEX_F - 0.00 0.00 0.00 0 910 12 0 4 8 4
3ZND_W 0.24 0.38 0.16 3 1172 25 9 7 9 5
4A1C_2 0.33 0.40 0.29 8 4488 36 9 11 16 12
4A1C_3 0.28 0.30 0.28 11 2723 30 4 25 1 26
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
4JF2_A 0.92 1.00 0.86 24 1054 4 4 0 0 0
4JRC_A - 0.94 0.94 0.94 16 605 1 1 0 0 1

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