Table 3 Summary of performance of QSAR models for predicting the oligomeric state of FPs (99% homologous sequence reduction) using the J48 algorithm
From: osFP: a web server for predicting the oligomeric states of fluorescent proteins
Descriptors | Training set | Tenfold CV set | External set | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ac (%) | Sn (%) | Sp (%) | MCC | Ac (%) | Sn (%) | Sp (%) | MCC | Ac (%) | Sn (%) | Sp (%) | MCC | |
AAC/DPC/TPC | 98.22 ± 0.71 | 98.73 ± 0.89 | 97.69 ± 1.20 | 0.97 ± 0.01 | 79.40 ± 2.75 | 80.78 ± 1.86 | 77.98 ± 3.20 | 0.59 ± 0.06 | 80.78 ± 5.72 | 82.12 ± 6.28 | 80.12 ± 7.50 | 0.62 ± 0.12 |
AC | 98.22 ± 0.71 | 98.73 ± 0.89 | 97.69 ± 1.20 | 0.96 ± 0.01 | 72.88 ± 3.46 | 74.52 ± 3.65 | 71.20 ± 3.74 | 0.46 ± 0.07 | 72.73 ± 6.11 | 74.89 ± 6.72 | 71.43 ± 7.57 | 0.46 ± 0.12 |
CTD | 97.66 ± 0.90 | 98.06 ± 1.17 | 97.29 ± 1.46 | 0.95 ± 0.02 | 74.40 ± 3.03 | 75.01 ± 3.32 | 73.92 ± 3.42 | 0.49 ± 0.06 | 74.89 ± 5.79 | 75.76 ± 6.64 | 74.83 ± 6.95 | 0.50 ± 0.12 |
Ctriad | 95.25 ± 1.87 | 96.62 ± 1.57 | 94.00 ± 3.64 | 0.91 ± 0.04 | 73.66 ± 2.84 | 75.78 ± 3.08 | 71.54 ± 3.15 | 0.47 ± 0.06 | 74.22 ± 6.02 | 77.26 ± 7.06 | 72.19 ± 7.21 | 0.49 ± 0.12 |
QSO | 98.50 ± 0.64 | 98.63 ± 1.00 | 98.39 ± 1.15 | 0.97 ± 0.01 | 75.78 ± 2.71 | 77.37 ± 3.08 | 74.11 ± 2.74 | 0.51 ± 0.05 | 76.71 ± 5.27 | 78.92 ± 6.19 | 75.19 ± 6.35 | 0.54 ± 0.11 |
PseAAC | 98.17 ± 0.74 | 98.38 ± 1.08 | 97.98 ± 1.36 | 0.96 ± 0.01 | 74.35 ± 3.00 | 75.87 ± 2.83 | 72.81 ± 3.67 | 0.49 ± 0.06 | 74.71 ± 5.74 | 77.17 ± 6.60 | 72.97 ± 6.93 | 0.50 ± 0.12 |