Table 5.
Overall toxicity predictions for FC101a using TOX_MUT_Risk and TOX_Risk filters
| Analog | TOX_MUT_Risk | TOX_Risk |
|---|---|---|
| FC101 Oxazole | 0 | 0 |
| FC101b | 1 | 0 |
| FC101 Imidazole | 0 | 0 |
| FC101 Formyl | 1 | 0 |
| FC101N | 1 | 0 |
| FC101i | 1 | 0 |
| FC101L | 1 | 0 |
| FC101 Acetonide R | 1 | 0 |
| FC101 dehyroxyl | 1 | 0 |
| Kynurenine B | 1 | 0 |
| FC101K | 1 | 0 |
| FC101a | 1 | 0 |
| FC101M | 1 | 0 |
| FC101 Phos | 0 | 0 |
Filters provide a qualitative estimate of potential toxicity concerns. Approximately 16 % of commercial drugs within the focused subset of the WDI receive a TOX_MUT_Risk score > 1 and approximately 4 % have a score > 2. TOX_Risk evaluates overall toxicological concerns and is greater than 3.3 for ~10 % of the focused WDI