Search the Mcule chemical datasets with CHEESE
Mcule is a partner vendor. Its datasets below can be searched in CHEESE by 2D fingerprint, 3D shape and electrostatic similarity.
Vendor website: mcule.com
Datasets
| Dataset | Size | Pricing in CHEESE |
|---|---|---|
| mcule-in-stock | 7.2M | No |
| mcule-full | 140.4M | No |
| mcule-aa | 203.2K | No |
| mcule-aa-in-stock | 50.2K | No |
| mcule-unnatural-aa | 84.7K | No |
| mcule-unnatural-aa-in-stock | 24.3K | 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 Mcule datasets.