Table 5.
Outcomes of the Pred-hERG computational tool concerning the blockage of the potassium channel by the investigated chito-oligomers: red cells illustrate predictions of hERG blocking potential and green cells illustrate hERG non-blocking potential.
| Compound | Pred-hERG | |
|---|---|---|
| Prediction by binary model | Prediction by multiclass model non-blocker | |
| A | 0.5 | 0.8 |
| 2A | 0.6 | 0.7 |
| 3A | 0.6 | 0.7 |
| 4A | 0.6 | 0.7 |
| 5A | 0.6 | 0.7 |
| 6A | 0.6 | 0.7 |
| 8A | 0.6 | 0.7 |
| ADA | 0.7 | 0.7 |
| DA | 0.6 | 0.7 |
| ADAD | 0.7 | 0.7 |
| DADA | 0.7 | 0.7 |
| ADDA | 0.7 | 0.7 |
| AADD | 0.7 | 0.7 |
| DAAD | 0.7 | 0.7 |
| DDAA | 0.7 | 0.7 |
| ADADAD | 0.7 | 0.7 |
| DADADA | 0.7 | 0.7 |
| DADADADA | 0.7 | 0.7 |
| DDA | 0.7 | 0.7 |
| ADDDAD | 0.7 | 0.7 |
| DDDADA | 0.7 | 0.7 |
| D | 0.5 | 0.8 |
| 2D | 0.6 | 0.7 |
| 3D | 0.6 | 0.7 |
| 4D | 0.6 | 0.7 |
| 5D | 0.6 | 0.7 |
| 6D | 0.7 | 0.7 |
| 8D | 0.6 | 0.7 |
Number in every cell represents the probability of the prediction for each class. The values vary between 0 and 1.