Table 2 Comparison of the FART models with previously published work using state-of-the-art binary classifiers as given in refs. 9,46,55,56,57,58,59
From: A chemical language model for molecular taste prediction
Reference | Model name | Classifier | n | Accuracy | F1 | AUROC | |
|---|---|---|---|---|---|---|---|
Sweet/non-sweet | Tuwani et al.55 | BitterSweet | AdaBoost | 161 | 0.834 | 0.856 | 0.883 |
Fritz et al.56 | VirtualSweet | RF | 403 | 0.893 | 0.888 | 0.951 | |
Bo et al.57 | SweetMLP-Fingerprint | MLP | 444 | 0.900 | – | 0.940 | |
Lee et al.58 | BoostSweet | Consensus | 459 | 0.899 | 0.907 | 0.961 | |
Yang et al.59 | ChemSweet | RF | 241 | 0.920 | – | 0.971 | |
This work | FART augmented | Transformer | 2254 | 0.926 | 0.944 | 0.978 | |
This work | FART confidence | Transformer | 2129 | 0.938 | 0.954 | 0.984 | |
Bitter/non-bitter | Tuwani et al.55 | BitterSweet | RF | 154 | 0.819 | 0.838 | 0.880 |
Fritz et al.56 | VirtualBitter | RF | 323 | 0.898 | 0.882 | 0.956 | |
Charoenkwan et al.46 | BERT4Bitter | Transformer | 128 | 0.922 | – | 0.964 | |
Bo et al.57 | BitterMLP-Descriptor | MLP | 446 | 0.820 | – | 0.940 | |
This work | FART augmented | Transformer | 2254 | 0.958 | 0.778 | 0.951 | |
This work | FART confidence | Transformer | 2129 | 0.970 | 0.830 | 0.965 | |
Sour/non-sour | Fritz et al.56 | VirtualSour | RF | 133 | 0.977 | 0.842 | 0.994 |
This work | FART augmented | Transformer | 2254 | 0.980 | 0.906 | 0.994 | |
This work | FART confidence | Transformer | 2129 | 0.986 | 0.935 | 0.997 | |
Umami/non-umami | This work | FART augmented | Transformer | 2254 | 0.998 | 0.5 | 0.989 |
This work | FART confidence | Transformer | 2129 | 0.998 | 0.5 | 0.989 |