Faster Lead Discovery

Biological sequence and chemical structures analysis need sophisticated tools to reveal deeper insights into the structure, properties and key relationships between the two. Explore a rich palette of intuitive data display options from one click SAR table transposition to SAR maps of R-Group decomposition. Visualize 3D structures and explore biological sequences and relate structural features and modifications with the changes in activity and other properties. 

Advanced Chemistry Intelligence

• One-click transposable SAR table
• Form views of data
• SAR map of R-group decomposition, including combining multiple R-group analyses for a set of structures, R-group decomposition on R-groups themselves, and property calculations on R-group fragments
• Extended palette of data visualizations (radar chart, violin plots, etc.)
• Multi-parameter optimization visualization and scoring
• 3D View of structures

Added Biological Intelligence

• Visualize and analyze biosequences
• Highlight sequence differences relative to a reference sequence
• Align sequences via CLUSTAL Omega
• BLAST search internal and external sequence databases
• Sequence analysis to relate therapeutic activity to monomer sequences
• 3D View of large molecules, and analysis to relate sequence regions and monomer positions to the 3D structure
• Incorporate in-house and third-party analysis pipelines via an extensible Web Services framework