Table 1 Size and purpose of androgen receptor antagonism datasets used to validate the original conformal prediction model
Dataset | Purpose | Actives | Inactives |
|---|---|---|---|
ToxCast-AA 762 | Train and test model | 868 | 5842 |
In-house-AA | Validation I | 280 | 254 |
External-AA | Validation II | 160 | 201 |