Table 5.
Toxicity predictions.
| Parameters | Hg-Complex | Cu-Complex | Pb-Complex |
|---|---|---|---|
| ADMET Solubility | −1.261 | −0.457 | −0.457 |
| ADMET Solubility level | 4 | 4 | 4 |
| ADMET unknown AlogP98 | 1 | 0 | 0 |
| ADMET BBB | −0.431 | −0.317 | −0.317 |
| ADMET BBB level | 2 | 2 | 2 |
| ADMET-EXT-CYP2D6 | −2.74484 | −3.61964 | −4.72823 |
| ADMET-EXT-CYP2D6#prediction | False | False | False |
| ADMET-EXT-CYP2D6-Applicability | −3.3847 | ||
| ADMET-EXT-CYP2D6-Applicability#MD | 20.4291 | 14.261 | 32.2821 |
| ADMET-EXT-CYP2D6-Applicability#MDpvalue | 1.15251e-12 | 1.36518e-05 | 1.16262e-24 |
| ADMET-EXT- Hepatotoxic | 0.135619 | 0.0912133 | 1.41364 |
| ADMET-EXT- Hepatotoxic #prediction | True | True | True |
| ADMET-EXT- Hepatotoxic Applicability | Within expected range | Within expected range | Within expected range |
| ADMET-EXT- Hepatotoxic Applicability #MD | 13.2927 | 9.31101 | 22.6407 |
| ADMET-EXT- Hepatotoxic Applicability #MDpvalue | 4.22711e-07 | 0.30867 | 2.38248e-35 |
| ADMET Absorption level | 0 | 0 | 0 |
| ADMET-EXT-PPB | −3.973 | −4.07027 | −5.27727 |
| ADMET-EXT-PPB #Prediction | False | False | False |
| ADMET-EXT-PPB- Applicability | Within expected range | Within expected range | Within expected range |
| ADMET-EXT-PPB- Applicability #MD | 15.5492 | 14.2618 | 27.4791 |
| ADMET-EXT-PPB- Applicability #MDpvalue | 2.76353e-08 | 3.06969e-05 | 2.30912e-57 |
| ADMET-AlogP98 | 1.45 | 0.645 | 0.645 |
| ADMET-PSA-2D | 45.87 | 22.935 | 22.935 |