infiniSee 7.0 ‘Arke’ sets a new benchmark for speed and precision in ultra-large Chemical Space exploration. With the transition to a powerful new database format, trillion-sized spaces can now be searched faster and more efficiently than ever before.
Our new release is built for agility. Named after Arke, the winged messenger goddess, the new version is quick in delivery and refined in control by bringing together speed, precision, and purpose.
Key Highlights
New Database Format for Chemical Spaces
infiniSee now adopts a high-performance DB format that significantly accelerates screening without compromising accuracy.
- Standardized across BioSolveIT tools including SeeSAR and HPSee.
- Future Chemical Space updates will be released exclusively in this format.
Please take not that older Chemical Space file formats are not compatible with future releases. We recommend to update to the most recent tool releases to have access to the up-to-date versions in the future.
SMARTS Support in Motif Matcher
A frequently requested feature is now available:
- Define complex molecular patterns and scaffolds using SMARTS syntax.
- Use substructure logic such as extended chains or nitrogen walks.
- Easily extract highly relevant motifs from massive combinatorial spaces.
Similarity Score Completion in Analyzer
When results are transferred into Analyzer Mode, any missing similarity scores across the three search Modes can now be calculated to complement the similarity assessment of results.
- Enables direct score comparison and combination insights.
Enhanced Filtering and Usability
- A new filter for “Maximum Consecutive Rotatable Bonds”.
- One-click suspend and reactivate for all applied filters.
- Significant speed-up when adding molecules to Analyzer.
- Project file sizes have been reduced for smoother handling.
Visual and Workflow Refinements
- Improved messaging for unsupported file types
- Direct links in “New Space Available” alerts streamline setup
With infiniSee Arke, screening speed is redefined: swift, intelligent, and ready for the next scale of virtual exploration.