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.

From: Application of artificial intelligence to decode the relationships between smell, olfactory receptors and small molecules

 

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

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