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
Establish complex structure or sequence activity relationships (SAR) more easily
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.
Load multiple linked chemical and biological data tables in a single analysis file.
- 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.
- 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.
Signals Lead Discovery lets researchers focus on science, not software. Powered by TIBCO Spotfire® analytics and visualization software, Signals Lead Discovery frees researchers and scientists to explore the data they want, when they want, how they want. 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. With Spotfire Lead Discovery scientists can efficiently access and deeply understand all their experimental results. It includes sophisticated chemical structure, biological sequence, and SAR tools which enable unbiased data-driven candidate evaluation and selection.
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