Table 6. Summary of developed BCRP inhibition qualitative and quantitative pharmacophore hypotheses.
| n | |||||
| Model type | Training | Test | External | Chemical features | Reference |
| Qualitative | |||||
| HipHop | 4 | 3 HBAs, 3 HPs | [31] | ||
| HipHop | 23 | 2 HBAs, 1 HP, 1 RA | [32] | ||
| HipHop | 29 | 1 HBA, 2 HPs | [33] | ||
| HipHop | 30 | 79 | 1 HBA, 3 HPs | [38] | |
| LigandScout | 4 | 3 HBAs, 2 HP, 1 RA | [37] | ||
| QuaSAR | 15 | 1 HBA, 2 RAs | [39] | ||
| Pharmacophore | 90 | 22 | 27 | 1 HBA, 1 HP, 2 RAs | [34] |
| Elucidator | |||||
| Quantitative | |||||
| HypoGen (Hypo A) | 22 | 97 | 16 | 1 HBA, 1 HP, 2 RAs | This study |
| HypoGen (Hypo B) | 22 | 97 | 16 | 2 HBAs, 1 HP, 1 RA | This study |
| HypoGen (Hypo C) | 22 | 97 | 16 | 2 HPs, 2 RAs | This study |