Skip to main content
. 2020 Sep 17;11(42):11485–11491. doi: 10.1039/d0sc03544k

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