Table 3.
Rat and human oral LD50 values, calculated by TEST (ver. 5.1.2 and ver. 4.2.1), QSAR Toolbox (ver. 4.6) software, and ProTox-II tool
| Number | Acronym | Rat oral LD50 (mg/kg bw.) | Human oral LD50 (mg/kg bw.) | ||||||
|---|---|---|---|---|---|---|---|---|---|
| QSAR Toolbox | TEST Consensus method | TEST FDA method | ProTox-II | QSAR Toolbox | TEST Consensus method | TEST FDA method | ProTox-II | ||
| 1 | VE | 2.63 | 2.23 | 1.9 | 1.0 | 0.42 | 0.36 | 0.31 | 0.16 |
| 2 | VG | 3.67 | 3.88 | 0.41 | 3.0 | 0.59 | 0.63 | 0.07 | 0.48 |
| 3 | VM | 0.32 | 0.18 | 0.6 | 1.0 | 0.05 | 0.03 | 0.10 | 0.16 |
| 4 | VR (RVX) | 1.04 | 1.32 | 2.1 | 1.0 | 0.17 | 0.21 | 0.34 | 0.16 |
| 5 | VS | 3.65 | 4.12 | 1.38 | 1.0 | 0.59 | 0.66 | 0.22 | 0.16 |
| 6 | V-sub x | 6.88 | 6.05 | 5.99 | 3.0 | 1.11 | 0.98 | 0.97 | 0.48 |
| 7 | VX | 0.26 | 0.63 | 1.34 | 1.0 | 0.04 | 0.10 | 0.22 | 0.16 |
| 8 | CVX | 1.67 | 1.44 | 1.97 | 1.0 | 0.27 | 0.23 | 0.32 | 0.16 |
| 9 | 100A | 12.9 | 9.28 | 22.8 | 1.0 | 2.08 | 1.50 | 3.68 | 0.16 |