Results for the maximum median molecule.
Benchmark | GB-EPI | SMILES LSTM | GB-GA |
---|---|---|---|
Standard | |||
Camphor vs. menthol | 0.419 | 0.415 | 0.419 |
Tadalafil vs. sildenafil | 0.453 | 0.422 | 0.453 |
Randomised | |||
Camphor vs. menthol | 0.419 | 0.400 | 0.345 |
Tadalafil vs. sildenafil | 0.370 | 0.368 | 0.313 |