Benchmark Sets
Browse retrosynthesis benchmark datasets with ground truth routes
| Name | Description | Targets | Stock |
|---|---|---|---|
SMILES
OC[C@H]1O[C@](O)(c2ccc(Cl)c(Cc3ccc(C#Cc4cnccn4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChiKey
DYLCLMKWVLHXMS-NHTNDUFYSA-N
Route Content Hash
03a5f8e176e9a963e955c7ee3c2c27db55da41efde64ffeb97e0576d6c2c29e1
Route Signature
12a6b240e6f07095c89e72cb0eaf555b89ad8ac65b8c88fd1354041b1cdae42f
Side-by-side comparison
Scroll to zoom. Drag to pan. Teal = both routes, sky = Model 1 only, violet = Model 2 only.