Table 1.
Number of chemicals included in the TS and the ES for each toxicity class
| Training set (TS) | Evaluation set (ES) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| # | Class 1 | Class 2 | Class 3 | Class 4 | Class 5 | # | Class 1 | Class 2 | Class 3 | Class 4 | Class 5 | |
| LD50 | 6279 | – | – | – | – | – | 2169 | – | – | – | – | – |
| vT | 8462 | 703 | 7759 | – | – | – | 2888 | 242 | 2646 | – | – | – |
| nT | 8402 | 4779 | 3623 | – | – | – | 2884 | 1651 | 1233 | – | – | – |
| EPA | 8259 | 703 | 1806 | 4142 | 1608 | – | 2859 | 242 | 643 | 1421 | 553 | – |
| GHS | 8331 | 165 | 538 | 1089 | 2916 | 3623 | 2879 | 58 | 184 | 391 | 1013 | 1233 |
Hazard categories for the two multi-class modeled endpoints (EPA and GHS classes) are sorted for decreasing toxicity, from 1 to 5. For the vT classification, class 1 corresponds to the positive (i.e., very toxic) compounds, while for the nT endpoint class 1 corresponds to the negative (i.e., toxic) compounds