Lead Discovery Premium

Lead Discovery Premium, from Revvity Signals, is a scientific analytics and visualization platform purpose-built for research scientists working in drug discovery and materials science. Unlike generic business intelligence software, it combines the interactive visual analytics power of Spotfire® with deep chemical and biological intelligence, enabling scientists to analyze chemical structures and biological sequence data, compare and score leads, and drive multi-parametric optimization — all within a single unified environment.

The platform is designed to give bench chemists and assay scientists greater independence from IT and computational specialists, making advanced structure-activity relationship (SAR) tools — previously reserved for computational chemists and bioinformaticians — accessible to the broader research team. Lead Discovery Premium supports both small molecule and large molecule R&D workflows, offering modular, purpose-built analytic dashboards that can be tailored to individual project team needs.

Small Molecule R&D: Key Features

• 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 multi-parameter optimization tools
• R-group decomposition and results visualizations
• Activity Cliff studies, including Neighbor Property Graphs, Structure Network Navigation, and Matched Molecular Pairs filtering
• Self-service access to external cheminformatics computational services and pipelines
• Integration with 3D modeling and design tools

Large Molecule R&D: Key Features

• Native support for viewing and annotating peptide and nucleotide sequences
• Multiple sequence alignment against reference sequences using Clustal Omega
• Sequence searching with BLAST support
• Innovative Seq-SAR tool with integrated sequence navigation, violin plots, and LOGO plots
• Ability to relate bioactivity to monomer substitutions
• 3D structure viewer with integrated sequence navigation tools
• Self-service access to external bioinformatics scripts and computational pipelines

Chemistry Capabilities

• Structure and sequence analysis tools available within a unified environment for SAR studies
• Integration of assay results with computational models to support medicinal chemistry workflows
• Analysis of activity cliffs to understand the morphology of small and large changes in desired properties

Biology Capabilities

• Structural biology tools to discover correlations between sequence data and observed assay results
• Inspection of peptide and nucleotide alignments within Spotfire's interactive visual environment

Guided Search and Analytics: SAR Insights

• Access and display a wide range of multivariate chemistry datasets including chemical structures, with advanced scoring functions to profile compounds
• Load multiple linked chemical and biological data tables in a single analysis file to facilitate rapid isolation of promising compounds based on key criteria
• Chemically intelligent scatter plots, line charts, pie charts, summary statistics tables, bar charts, and histograms; drag-and-drop interface to create and modify visualizations on-the-fly
• View structures from molfiles, SMILES, CDX (ChemDraw), or chemistry databases; filter using similarity, substructure, and tautomer perception algorithms; import and export SDfiles and ChemDraw for Excel documents; align all structures to a chosen scaffold
• R-group decomposition: define a common scaffold across a series of related structures to analyze and display all attached R-groups, helping scientists discern favorable substitution patterns and preferred substituents for lead optimization
• Auto-apply saved filters and R-group analyses for rapid access to the latest hit sets

Lead Discovery Premium is built on the Spotfire® platform, combining Revvity Signals' chemical intelligence with powerful biological sequence analytics to deliver a premier environment for scientific visualization and analysis. The platform supports self-service integration with external computational services and pipelines, reducing dependency on IT while enabling scientists to work more efficiently across both small and large molecule research programs.