Table 3. Number of Compounds for Each Class at Different Steps in the Data Processing Workflow.
| number of compounds |
||||||
|---|---|---|---|---|---|---|
| raw
data |
after
filtering of compounds with any ToxCast flag |
processed
data sets used for model development |
||||
| end point | active | inactive | active | inactive | active | inactive |
| DIO1 | 136 | 1683 | 119 | 1683 | 109 | 1610 |
| DIO2 | 194 | 1625 | –a | –a | 178 | 1551 |
| DIO3 | 194 | 1625 | –a | –a | 183 | 1545 |
| TPO | 489 | 830 | 264 | 810 | 256 | 796 |
| TR | 2376 | 5929 | 1354 | 5574 | 1251 | 5091 |
| NIS | 282 | 756 | 55 | 756 | 55 | 747 |
| TRHR | 317 | 7554 | 81 | 7161 | 70 | 6548 |
| TSHRAnt | 336 | 7535 | 116 | 7206 | 116 | 6591 |
| TSHRAg | 489 | 7382 | 222 | 7192 | 202 | 6587 |
Data not in the ToxCast database - no flag filtering step.