Table II.
List of drug candidates after data normalization
| MeSH ID | Drug | Regulatory approval | No. PubMed IDs | Water solubility (mg/mL) | logP | Polar surface area (Å2) | Bioavailability | Rule of 5 | Weighted composite score |
|---|---|---|---|---|---|---|---|---|---|
| D006918 | Hydroxyurea | 1 | 0.31 | 1.00 | 0.59 | 1.00 | 1 | 1 | 0.85 |
| D014635 | Valproic acid | 1 | 0.82 | 0.01 | 1.00 | 0.86 | 1 | 1 | 0.68 |
| D000068877 | Imatinib | 1 | 0.49 | 0 | 0.93 | 1.00 | 1 | 1 | 0.64 |
| D000077547 | Crizotinib | 1 | 0.43 | 0 | 0.88 | 1.00 | 1 | 1 | 0.62 |
| C479163 | Tofacitinib | 1 | 0.18 | 0 | 1.00 | 1.00 | 1 | 1 | 0.60 |
| D000069347 | Erlotinib | 1 | 0.18 | 0 | 0.98 | 1.00 | 1 | 1 | 0.59 |
| D015760 | Alfentanil hydrochloride | 1 | 0.04 | 0 | 1.00 | 1.00 | 1 | 1 | 0.57 |
| C000596027 | Baricitinib | 1 | 0.03 | 0 | 1.00 | 1.00 | 1 | 1 | 0.57 |
| D014223 | Triamterene | 1 | 0.01 | 0 | 1.00 | 1.00 | 1 | 1 | 0.57 |
| C531550 | Olaparib | 1 | 0 | 0 | 1.00 | 1.00 | 1 | 1 | 0.57 |
| D000077209 | Decitabine | 1 | 0.16 | 0.02 | 0.56 | 1.00 | 1 | 1 | 0.55 |
| C561234 | Pacritinib | 1 | 0 | 0 | 0.74 | 1.00 | 1 | 1 | 0.54 |
| D017239 | Paclitaxel | 1 | 1.00 | 0 | 0.97 | 0.63 | 0 | 0 | 0.46 |
| C532162 | Pictilisib | 0 | 0.08 | 0 | 1.00 | 1.00 | 1 | 0 | 0.35 |
| D020123 | Sirolimus | 1 | 0.35 | 0 | 0.73 | 0.66 | 0 | 0 | 0.33 |
| C001277 | Geldanamycin | 0 | 0 | 0 | 1.00 | 0.86 | 1 | 0 | 0.32 |
| C531198 | Dactolisib | 0 | 0 | 0 | 0.76 | 1.00 | 1 | 0 | 0.31 |
| C112765 | Tanespimycin | 0 | 0 | 0 | 1.00 | 0.81 | 0 | 0 | 0.20 |