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Lead Discovery Premium

Extend the Power of TIBCO Spotfire® with Advanced Chemical and Biological Intelligence from PerkinElmer.

Lead Discovery Premium transforms TIBCO Spotfire into the premier platform for advanced chemical and biological analytics. Import, filter by, analyze and interpret chemical structures and biosequences alongside other related data in a highly visual and interactive environment for faster insights and better decisions.

Part Number LDP
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Lead Discovery Premium extends the power of Lead Discovery with advanced chemical and biological intelligence. The following core features of Lead Discovery are also in Lead Discovery Premium:

  • Visualize small molecules using all major chemistry renderers and editors
  • Globally set the preferred chemistry renderer, with one-click switching of common chemistry formats
  • Find structures in external data sources, including tautomeric substructure search
  • Define compound series via structure filters, and auto-update series as new compounds are added
  • Analyze R-group contributions to activity, and auto-update R-group analyses as new compounds are added
  • Auto-detect chemical columns in a loaded data set
  • Calculate physical properties

Lead Discovery Premium adds the following advanced capabilities for more powerful and insightful analyses:

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

Selecting the right Lead Discovery Solution for your needs:

Feature Lead Discovery Lead Discovery Premium Signals Lead Discovery
Visualize small molecule structures Yes Yes Yes
Find structures in external data sources Yes Yes Yes
Define compound series via structure filters Yes Yes Yes
Analyze R-groups contribution to activity Yes Yes Yes
Utilize all major chemistry renderers and editors Yes Yes Yes
Autodetect chemical columns within loaded data Yes Yes Yes
Calculate physical properties Yes Yes Yes
Auto-update compound series as new compounds are added Yes Yes Yes
Auto-update R-group analyses as new compounds are add Yes Yes Yes
Publish to TIBCO Consumer with full chemistry analysis capabilities Yes Yes Yes
Global set the preferred chemistry renderer Yes Yes Yes
One-click switching of chemistry format (ChemDraw, SMILES, etc.) Yes Yes Yes
Tautomeric substructure searching Yes Yes Yes
One-click transposable SAR table   Yes Yes
Form views data   Yes Yes
SAR map of R-group decomposition   Yes Yes
Broadened palette of data visualizations (radar chart, violin plots, etc.)   Yes Yes
Multi-parameter optimization visualization and scoring   Yes Yes
3D view of structures for large and small molecules   Yes Yes
Visualize and analyze biological sequences   Yes Yes
Highlight sequence differences relative to a reference sequence   Yes Yes
Align sequences through CLUSTAL Omega   Yes Yes
BLAST searching over internal or external sequence databases   Yes Yes
Sequence Analysis of biological molecules, relate therapeutic agent activity to monomer substitutions   Yes Yes
3D biomolecule analysis relate sequence regions and monomer positions to 3D structure   Yes Yes
Incorporate your own analysis pipelines through extensible web services framework   Yes Yes
Global Search App     Yes
SAR Analysis App     Yes
Assay Details Visualization     Yes
Assay Results Publishing Tool     Yes
Assay Metadata Modeling Tool     Yes
Data integration/indexing with Chemical Search     Yes
Virtual SQL Datamarts from Index Content     Yes

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Part One: Light at the End of the Lead Discovery Tunnel - An exploration of modern data analysis and visualization systems

Your days are spent discovering, developing, and delivering newer, better drugs, but obstacles like outdated technology, legacy platforms, complicated data, and lack of tools can make it challenging. But not anymore. Signals™ Lead Discovery software lets you quickly locate and assemble accurate, comprehensive data for collaboration and intelligent analysis. There's a light at the end of the tunnel, and it's within your reach.

Part Two: Light at the End of the Lead Discovery Tunnel - Lead discovery: From data retrieval to incisive analysis

Data, data, everywhere! It’s more complex than ever before. And when it’s stored in disparate silos, you may find it’s nearly impossible to access and analyze the data and share meaningful results. When it comes to drug discovery, the right technologies are necessary to make your data accessible and aid in new discoveries. With Signals™ Lead Discovery software, it’s easy to access your data, collaborate with colleagues, and explore the data you want, when you want.


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