Table 2 Overview of the six transporter datasets that were used for the training of the models
From: Using Jupyter Notebooks for re-training machine learning models
Endpoint | Training | Test | ||
|---|---|---|---|---|
Actives | Inactives | Actives | Inactives | |
Breast cancer resistance protein (BCRP) | 904 | 786 | 149 | 38 |
Bile salt export pump (BSEP) | 221 | 1100 | 3 | 7 |
Organic anion transporting polypeptide 1B1 (OATP1B1) | 292 | 1675 | 18 | 3 |
Organic anion transporting polypeptide 1B3 (OATP1B3) | 168 | 1818 | 13 | 4 |
Multidrug resistance associated protein (MRP3) | 74 | 569 | 0 | 3 |
P-glycoprotein (Pgp) | 1281 | 953 | 136 | 236 |