The VAST™ Space brings an actionable, navigable universe of 4.66 billion accessible, drug-like products directly into your workflow. Created by XtalPi, this collection was built from 40+ validated reaction protocols and 58,000 in-stock building blocks. By pairing automated synthesis with proprietary feasibility models, it delivers a highly reliable and innovative collection for computational drug discovery.
XtalPi utilizes proprietary reaction data alongside AI-driven feasibility models to refine compound selections. This rigorous approach ensures high-quality virtual structures, translating to an expected synthesis success rate above 85% within just 1 to 2 synthetic steps.
Key Traits
- AI-guided scheduling and fully automated synthesis execution
- Exceptional chemical novelty concentrated below HAC30
- Validated synthetic accessibility requiring only 1 to 2 steps
- Fast turnaround with 2 to 4 weeks delivery time to your laboratory
The VAST™ Space dataset is available to download and can be screened with BioSolveIT applications:
- infiniSee
- Chemical Space Docking®
- FTrees (fuzzy pharmacophore search)
- SpaceLight (fingerprint/Tanimoto similarity)
- SpaceMACS (substructure matching)
All results found using BioSolveIT software are ready to be synthesized on demand and ordered directly via XtalPi, ensuring a streamlined path from virtual screening to your laboratory.