Research Article
Joint Decision-Making Model Based on Consensus Modeling Technology for the Prediction of Drug-Induced Liver Injury
Table 2
Comparison results of five consensus models.
| Descriptor or fingerprints | Performance (%) | Training set | Fivefold cross validation set | Test set | ACC | SE | SP | MCC | ACC | SE | SP | MCC | ACC | SE | SP | MCC | AUC |
| PaDEL | 96.2 | 96.1 | 96.2 | 91.8 | 72.1 | 71.4 | 73.2 | 43.3 | 75.4 | 74.1 | 77.6 | 50.2 | 81.8 | PubchemFP | 97.2 | 98.0 | 95.8 | 94.0 | 73.2 | 78.3 | 64.4 | 43.6 | 78.4 | 82.8 | 70.9 | 53.8 | 81.4 | KRFP | 97.4 | 98.1 | 96.1 | 94.3 | 70.8 | 77.0 | 60.1 | 37.2 | 78.4 | 83.7 | 69.4 | 53.5 | 82.9 | SubFP | 93.0 | 95.3 | 89.2 | 85.0 | 71.2 | 75.9 | 63.2 | 38.8 | 75.2 | 78.0 | 70.4 | 47.8 | 81.8 | EstateFP | 86.4 | 91.6 | 77.4 | 70.4 | 68.1 | 76.7 | 53.6 | 30.7 | 69.9 | 78.9 | 54.6 | 34.3 | 75.2 |
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