Spotfire for Lead Discovery & Optimization

Spotfire enables biologists to get insights from their assay data and chemists to get insights into structure-property-activity relationships. Because both biologists and chemists can use the same analytics platform, the organization benefits from better collaboration and a simpler, more maintainable IT infrastructure.

TIBCO Spotfire Lead Discovery provides a highly visual and interactive environment for exploring the effects of chemical structure on biological activity.  Quickly summarize, visualize, and filter large, complex datasets to focus in on the compounds, test results, and trends that are of most interest to you.

Move effortlessly between summarized data and individual test results.  See detailed results in the context of entire series, libraries, projects, or therapeutic areas. Seamlessly retrieve structures and data from Oracle-based chemical database systems and vendors. Load SD files or SMILES strings from any source directly into Spotfire. Easily perform substructure or similarity searches to profile or cluster compounds based on assay results or properties. Save and manage lists of interesting compounds. Experience the unparalleled Spotfire advantage in integrating graphical interactive analysis with chemical structure insight. Advanced users can author analysis workflows that can be consumed by all levels of colleagues, from analytics  experts to bench scientists and managers.  Workflows can be accessed through a web browser, complete with interactive filtering, drill-down, and structure viewing, with no desktop software installation required.

"StatServer has become a cornerstone part of our department operations and has revolutionized how we work with our
scientific colleagues."
- Dr. Bill Pikounis, Associate Director, GSK 


Lead Discovery

  • Screening: Enhance high throughput screening by quickly identifying systematic bias in instrumentation, and monitoring screening runs to reduce costly assay failure.

  • Chemistry: Improve design of chemical libraries by evaluating all possible parameters interactively, access both chemistry and biology data in a single query and evaluate large datasets to define success criteria for lead compounds.

  • ADME and Toxicology: Explore and evaluate a large number of variables that include chemical, biological, and ADME properties to optimize drug design and animal studies, lab tests, observations and pathology data to identify safety issues early.

Related Demos

  • Enables rapid clinical data quality assessment, data cleaning deliverables to be met, provides visibility across programs, projects and studies; as well as optimal project and staff management
  • Provides a dashboard view that consolidates and presents all clinical supply-related data in one location of investigational product supply and distribution operations to measure the health of the organization’s internal and external supply chain operations.
  • An interactive analysis enabling you to define a set of gene clusters and evaluate their expression profiles.
  • HCS Tox Assay - Notes This High content Screening (HCS) assay is part of a predicitive toxicology screen, carried out to identify problem compounds in advance of animal or clinical studies. Cells were grown in 96 well plates, treated with test compound, labelled with two different dyes: one which labels nuclei and gives information on cell counts and cell health, the other is an indicator of a secondary toxic effect, which accumulates in specific sub-cellular organelles. Not all compounds casue the secondary effect. Data comes from two sources - individual cell stats (1 datapoint per cell) and pre-aggregated stats per well. There is also a template file giving details of the concetrations and location of test and control compounds.
  • An application which uses public data to evaluate the research pipelines of the top 20 pharmaceutical companies.
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Spotfire's interactive information visualization and analytic solutions give users a remarkable experience for quickly and easily querying data and reporting results for superior business intelligence. From portfolio management and customer retention programs to key processes such as CRM, marketing, research, bioinformatics, yield and asset management and design for manufacturing, enterprises around the world rely on Spotfire's business analytics software to improve operational performance.

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