Search the XtalPi chemical datasets with CHEESE
XtalPi is a partner vendor. Its datasets below can be searched in CHEESE by 2D fingerprint, 3D shape and electrostatic similarity.
Vendor website: en.xtalpi.com
Datasets
| Dataset | Size | Pricing in CHEESE | Lead time | Reported synthesis success |
|---|---|---|---|---|
| vast | 6.8B | Yes | 2-4 weeks | 85%+ |
| xtalpi | 4.7B | 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 XtalPi datasets.