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Signals Lead Discovery

Signals Lead Discovery empowers you to explore the data you want, when you want, how you want.

Signals Lead Discovery provides a faster way to help chemists gain insights into structure and sequence activity relationships through a guided search and analysis workflow that queries and represents data in intuitive and intelligent ways.

A guided search and analytics experience leads to faster insight and decision making. Instant feedback on the availability and quantity of data reduces the time spent running queries, while the guided analysis workflow leverages industry best practices for discovery and insight. The intuitiveness of Signals Lead Discovery means more time for critical thinking.

PerkinElmer Informatics Medicinal Chemistry Analytics

Discover the benefits of the chemically-intelligent analytics built into Signals Lead Discovery

PerkinElmer Enterprise Research Solutions | Signals Lead Discovery

Select the right compounds faster.

Establish complex structure or sequence activity relationships (SAR) more easily

Chemists and biologists are continually asked to correlate an ever-increasing complex set of chemical properties, biological assays and ADME results to decide which compounds or biologics to synthesize next, or which drug candidates to promote into trials. Get the solution you need to handle complexity better.

Signals Lead Discovery has the key capabilities researchers need

  • Identify SAR patterns hidden to the human eye
  • Create dynamic SAR tables
  • Create and visualize R-group decompositions
  • Visualize, align and navigate biological sequences
  • 3-D view and navigation of small and large molecules
  • Chemical clustering
  • Multi-parametric optimization and scoring tools

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.

Efficiently access and analyze all scientific results

Easily locate and retrieve any test or assay result plus associated compound information across experiments, projects, and departments. Experience near instantaneous query responses across even the largest of datasets. Easily Transfer only the relevant subsets of data into analytic dashboards without any manual data wrangling and reformatting.

Data Sheet
Signals Lead Discovery: Focus on Science
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