Table 5 Performance of the 4 models applied on the compound-olfactory receptors dataset. The results in bold are the performance on the full dataset. The value in brackets depicts the results of the fivefold cross validation model.
Compound—Receptor (human + orthologs) | ||
|---|---|---|
AUROC | PRC-AUC | |
GCN | 0.99 [0.71] | 0.91 [0.40] |
RF-Morgan Fp | 0.612 | 0.212 |
RF-RDKit Features | 0.586 | 0.167 |
CNN-ECFP4 | 0.536 | - |