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Lead Discovery Premium

Incisive Chemical and Biological Analytics

When your science is complex, generic business intelligence software doesn’t provide the scientific intelligence you need. Discover Lead Discovery Premium — Analyze and visualize chemical structure & biological sequence data, compare, score, and segment leads based on data-driven multi-parametric optimization. It’s the solution that’s specifically designed for you – a research scientist not for bankers or insurance actuaries.

Whether you are a scientist working in drug discovery or materials science, discern and understand the trends and outliers in your data to ensure a successful candidate selection and promotion strategy.


Structure and Sequence analysis tools in a unified environment

Medicinal Chemistry

Visualize assay results and computational models

Activity Cliffs

Understand how small changes in morphology result in large changes in desired properties

Structural Biology

Discover correlations between sequence and observed assay results

Sequence Alignment

Inspection of peptide/nucleotide alignments within Spotfire’s interactive visual environment

Greater Independence From IT

Advanced SAR tools that used to be reserved for computational chemists and bio-informaticians are now available to bench chemists and assay scientists. PerkinElmer’s Lead Discovery Premium delivers – the combination of Spotfire based innovative visual analytics and ease of integration with computational services that can have a profoundly positive impact on your science and your business.

Lead Discovery Premium for Small Molecule R&D

Traditional structure-activity analysis software does not easily adapt to the needs of individual project teams. Lead Discovery Premium’s modular chemistry charts enable teams to deploy purpose built analytic dashboards using Spotfire’s visual and interactive data exploration capabilities.

Key features include:

  • Create reusable guided-analysis applications and dashboards
  • User designed Form and Card visualizations
  • Highly configurable SAR tables and plots
  • Structure filtering with scaffold alignment
  • Visual scoring of candidates with radar plots and muti-parameter optimization tools
  • R-group decomposition and results visualizations
  • Activity Cliff studies
    • Neighbor Property Graphs
    • Structure Network Navigation
    • Match Molecular Pairs filter
  • Self-service access to external ChemInformatics computational services and pipelines
  • Integration with 3D modeling and design tools

Lead Discovery Premium for Large Molecule R&D

New drug compound modalities and biologics therapies require a new generation of Sequence-activity analysis tools. Lead Discovery Premium is the only platform that integrates sequence visualization, alignment, annotation, and navigation tools together with traditional SAR tools, all within the highly interactive and customizable Spotfire dashboards.

Key features:

  • Native support for viewing and annotating peptide and nucleotide sequences
  • Multiple sequence alignment against reference sequences (Clustal Omega)
  • Sequence searching (BLAST) support
  • Innovated Seq-SAR tool with integrated sequence navigation, violin plots and LOGO plot
  • Relate bioactivity to monomer substitutions
  • 3-D Structure viewer with integrated sequence navigation tool
  • Self-service access to external bio-informatics scripts and computational pipelines

Gain insights into SAR with guided search and analytics

Wide range of multivariate chemistry data.

Access and display a wide range of multivariate chemistry data sets including chemical structures. Access advanced scoring functions to profile compounds.

Load multiple linked chemical and biological data tables in a single analysis file.

Facilitate the rapid isolation of promising compounds based on key criteria and chemical structure for further analysis by highly interactive and intuitive visualization and filtering


Chemically-intelligent scatter plots, line charts, pie charts, summary statistics table, bar charts and histograms.
Drag-and-drop to create and modify visualizations and analyses on-the-fly.

Chemical structure viewing and filtering.

View structures from molfiles, SMILES, CDX (ChemDraw), or chemistry databases and filter using trusted similarity, substructure and tautomer perception algorithms.
Import and export SDfiles and ChemDraw for Excel documents.
Align all structures to a chosen scaffold.
Tag data based on chemical attributes for further classification and analysis.

R-Group Decomposition.

Define a common scaffold in a series of related structures and Lead Discovery will analyze and display all the attached R-groups.
Scientists can discern favorable substitution patterns and preferred substituents to aid in lead optimization.

Auto-apply saved filters and R-group analyses.

Rapid access to the latest hit sets.

Select the right compounds faster

Lead Discovery Premium combines the analytics power of TIBCO Spotfire with the chemical smarts PerkinElmer is known for, then adds powerful biological sequence intelligence to create the premier platform for scientific visualization and analysis. The guided workflows empower you with the ability to find and assemble any data you want to answer any scientific question – from drug discovery to materials science experiments – in minutes rather than days, independent of your IT department.

Data Sheet
Lead Discovery Premium
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Data Sheet
Lead Discovery to Lead Discovery Premium Upgrade Comparison
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Reimagining Advanced R&D Workflows
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