Overview
CHEESE — AI-based tools for accelerated drug discovery, including 3D shape, electrostatic, and activity similarity search across 40+ trillion molecules.
CHEESE: AI-Based Tools for Accelerated Drug Discovery.
The CHEESE Platform offers several key tools for (not only) medicinal and computational chemists: CHEESE Search, CHEESE Modeller, CHEESE Electrostatics, and CHEESE Explorer.
CHEESE Platform Availability
CHEESE tools are available in a free limited demo version and in a premium version, in dedicated and on-premise deployments that provide additional functionality and safety/privacy features. Contact us for more info about CHEESE products.
At a glance
| Scale | 40 trillion molecules |
| Vendors | 8+ |
| Databases | 20+ molecular databases |
| Speed | Single-second search |
What you can do
Partial Charges
AI-predicted ESP/RESP partial atomic charges that replace expensive DFT calculations.
Conformer Alignment
Superimpose 3D conformers to visualise shape and pharmacophore overlap (MCS, MCS-constrained, Open3DAlign).
Benchmarks
ADMET property prediction results on the TDC benchmarks and evaluation against SOTA search.
Case Study
Finding new EGFR inhibitors with CHEESE similarity search.
On-Premise
Run the full CHEESE functionality inside your own network for complete data privacy.
Search API
Programmatic molecular search and property prediction over HTTP.