Table 3.
Comparison of existing free online tools to predict ADME-Tox properties of compounds.
| Web service | Transporters predictions | CYP450 predictions | Hepatotox. predictions | Batch prediction | Run time for 1 compound |
|---|---|---|---|---|---|
| ProTox-II (Drwal et al., 2014) | No | No | No | Yes (max. 100) | <5 s |
| BioZyne (Levatić et al., 2013) | P-gp | No | No | Not for free | ~5 s |
| QSAR DB (http://qsar.food.dtu.dk/) | No | Yes | No | Yes | N.A. |
| pkCSM (Pires et al., 2015) | P-gp | Yes | Yes | Yes (max. 100) | <5 s for 30 models |
| Lazar (Maunz et al., 2013) | No | No | No | No | ~10 s for 6 models |
| Vienna LiverTox Workspace | P-gp, BSEP, BCRP, MRP2, MRP3, MRP4, OATP1B1, OATP1B3 | No | Yes | Not for free | ~30 s for 15 models |