Table 5. The effect of the alpha parameter in Chym's performance as measured by the Matthews Correlation Coefficient.
Alpha | BBB | P-gp | estrogen |
0.0 | 0.66837 | 0.47723 | 0.26418 |
0.1 | 0.74508 | 0.54799 | 0.33957 |
0.2 | 0.78206 | 0.54634 | 0.42900 |
0.3 | 0.79941 | 0.63492 | 0.50817 |
0.4 | 0.75904 | 0.63774 | 0.60167 |
0.5 | 0.73267 | 0.61939 | 0.63670 |
0.6 | 0.68652 | 0.60764 | 0.66318 |
0.7 | 0.64528 | 0.57530 | 0.67470 |
0.8 | 0.57281 | 0.54896 | 0.60161 |
0.9 | 0.52186 | 0.49979 | 0.64252 |
1.0 | 0.51764 | 0.48429 | 0.61333 |
The Chym parameters used are the ones in Table 4, except that instead of a single value, we present results for several values. Validation was performed with a 10-fold approach. Bold values are the maximum for each column.