Table 1.
Classification matrix presenting categorical classification of simulation and experimental results when considering the assay’s ability to predict QT prolongation. The results were obtained when using PatchXpress assay data, assuming compounds can interact with multiple channels and parameterising the drug block model with both the IC50 value and the Hill coefficient for a set of 77 compounds. The accuracy, sensitivity, specificity, and positive and negative predictive values are calculated as indicated.
| Simulation prolonger | Simulation non-prolonger | ||
|---|---|---|---|
| Experimental prolonger | 18 | 7 | Sensitivity = 18/(18 + 7) |
| Experimental non-prolonger | 10 | 42 | Sensitivity = 42/(42 + 10) |
| Positive predictive value = 18/(18 + 10) = 64.3% | Negative predictive value = 42/(42 + 7) = 85.7% | Accuracy = (18 + 42)/(18 + 7 + 10 + 42) = 77.9% |