Virtual screening of ultra-large databases is a very challenging process. Besides that, the synthesis of hit compounds is usually expensive or even impossible due to the complexity of the molecules.
To address this issue, we introduce Freedom Space 3.0 – a diverse collection of 5B molecules, that can be synthesized for you on-demand within 5-6 weeks. It is a valuable addition to Enamine REAL Space.
Space generation
Freedom Space 3.0 is a unique space that was created using machine learning (ML) based filters, that were trained on the reaction success data from Enamine.
First, a collection of in-stock building blocks from several suppliers was created, the blocks were filtered using ML models and combined utilizing 10 well-validated chemical transformations. The process is visualized in the graphic below.
Benefits of the product:
- Unique space of molecules
- Competitive compound pricing
- High synthesis success rate
- Lead time 5-6 weeks
Freedom Space 3.0 is also available in FTrees space format powered by our partners - BiosolveIT! The FTrees-based similarity search is available with the infiniSee tool.
You can also find additional information and download Freedom Space 3.0 using FTP in PDF at the top of the page.
For any questions contact us at [email protected] .
Synthon-based Search
The full synthon-based Freedom Space 3.0 is available for search via RDKit library. With access to the RDKit library, you can perform exact match, substructure search, and similarity search via fingerprints efficiently.
To enable these searches, you will need the synthon and reaction files.
We provide the full synthon and reaction files upon request. Please contact us at [email protected] for more details.
