From: Assessing the calibration in toxicological in vitro models with conformal prediction
Endpoint | Tox21Train | Tox21Test | Tox21Score | |||
---|---|---|---|---|---|---|
Actives | Inactives | Actives | Inactives | Actives | Inactives | |
Aryl hydrocarbon receptor (NR_AhR) | 933 | 6687 | 29 | 236 | 71 | 506 |
Androgen receptor, full length (NR _AR) | 373 | 8370 | 3 | 282 | 11 | 549 |
Androgen receptor, ligand binding domain (NR_AR_LBD) | 295 | 7742 | 4 | 242 | 8 | 543 |
Aromatase (NR_Aromatase) | 338 | 6362 | 18 | 192 | 36 | 466 |
Estrogen receptor, full length (NR_ER) | 901 | 6290 | 27 | 231 | 49 | 441 |
Estrogen receptor, ligand binding domain (NR_ER_LBD) | 419 | 7763 | 10 | 270 | 20 | 548 |
Peroxisome proliferator-activated receptor gamma (NR_PPAR) | 204 | 7414 | 15 | 245 | 31 | 543 |
Nuclear factor (erythroid-derived 2)-like 2/antioxidant responsive element (SR_ARE) | 1032 | 5653 | 47 | 181 | 89 | 433 |
ATAD5 (SR_ATAD5) | 322 | 8179 | 25 | 240 | 36 | 554 |
Heat shock factor response element (SR_HSE) | 386 | 7233 | 10 | 250 | 19 | 558 |
Mitochondrial membrane potential (SR_MMP) | 1094 | 5719 | 38 | 195 | 56 | 457 |
p53 (SR_p53) | 515 | 7542 | 28 | 234 | 40 | 543 |