Design
coreDesign®
A design tool for scaffold hops.
CoreDesign® applies ring and linker scaffold changes found by matched molecular pair analysis to generate new compound suggestions (e.g. scaffold-hops).
A module within the MCPairs platform.
How CoreDesign® Works
Scaffold Hop in four steps
Input Compound
Submit or draw a compound and highlight the parts of the molecule to change.
Submit Query
CoreDesign® searches over 1.3 million transformations, and generates suggestions with modified cores.
Review Literature
Review supporting literature for suggested scaffold hops.
Export Results
Export promising compounds and continue your workflow in MCPairs.
Explore CoreDesign®
Powerful analysis at your fingertips
Matched Pair Analysis
Displays a traffic light overview of the matched pair data associated with the transformation.
References and Links
Supplies links to literature and patents containing compounds that demonstrate the given transformation.
Physical Properties Calculations
Provides physical property calculations for the suggested compound, including the synthetic accessibility score (SAscore).
Why use CoreDesign®?
Key Benefits
1.3 Million+ Transformations
1.3 million+ ring and linker transformations from MedChemica’s proprietary database.
Complements RuleDesign®
Provides different transformation to RuleDesign®.
Evidence-Based Suggestions
Supplies links to the literature and patent references for key decision making.
User-Control
Users can control location of ring substitution as well as the length of the replacement linker.
Web-based Access
Access CoreDesign® through MCPairs Online from any modern web browser—no software installation required.
