Table 3 A list of prediction results with uncertainty of clinical drugs and marketed antitumor drugs
From: Blood–brain barrier penetration prediction enhanced by uncertainty estimation
Drug | Structure* | Predicted probability | Uncertainty | Potential indications |
|---|---|---|---|---|
FPS-ZM1 |
| 0.9761 | 0.1964 | Alzheimer’s disease |
Tarenflurbil |
| 0.7881 | 0.6328 | Alzheimer’s disease |
Niraparib |
| 0.9563 | 0.3676 | Carcinoma ovarian, fallopian tube cancer and peritoneal carcinoma |
Alectinib |
| 0.9484 | 0.3907 | Non-small cell lung cancer (NSCLC) metastatic, ALK-positive |
Encorafenib |
| 0.2529 | 0.7017 | Melanoma with BRAF mutation, colorectal cancer with BRAF V600 mutation |
Osimertinib |
| 0.4864 | 0.7486 | NSCLC advanced, metastatic, EGFR mutation |
