Table 2 Overall performance (%) of fingerprint decoders, computed as the average Tanimoto exactness score across 15 fingerprintsOverall performance (%) of fingerprint decoders, computed as the average Tanimoto exactness score across 15 fingerprints
From: Reconstruction of lossless molecular representations from fingerprints
| Â | MACCS | Avalon | RDK4 | RDK4L | HashAP | TT | HashTT | ECFP0 | ECFP2 | ECFP4 | FCFP2 | FCFP4 | AEs |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SMILES | 39.6 | 67.3 | 65.2 | 51.6 | 85.1 | 86.6 | 84.6 | 1.9 | 80.8 | 93.6 | 20.3 | 71.7 | 81.3 |
SELFIES | 31.2 | 46.6 | 56.7 | 44.1 | 72.6 | 79.5 | 76.4 | 1.6 | 73.6 | 86.2 | 16.3 | 64.7 | 75.0 |