Search the eMolecules chemical datasets with CHEESE
eMolecules is a partner vendor. Its datasets below can be searched in CHEESE by 2D fingerprint, 3D shape and electrostatic similarity.
Vendor website: emolecules.com
Datasets
| Dataset | Size | Pricing in CHEESE | Lead time | Reported synthesis success |
|---|---|---|---|---|
| explore | 9.5T | Yes | 3-4 weeks | >85% |
| explore-enumerated | 54.8M | No | — | — |
| explore-diverse | 11.4M | No | — | — |
| synple | 7.6T | Yes | 3-4 weeks | >85% |
| synple-4b | 3.9B | No | — | — |
| zinc15 | 697.1M | No | — | — |
What CHEESE does with these datasets
- Similarity search by shape, electrostatics or 3D conformation, not only 2D fingerprints.
- Substructure search, ADMET filtering and composable structure queries (multi-pharmacophore).
- Navigator for score-guided search when docking or scoring every molecule is too costly.
Talk to us
Bring your target and see what CHEESE finds in the eMolecules datasets.