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SAR Analysis using CDD Vault

Insights from Structure Activity Relationship (SAR) analyses in CDD Vault help optimize your research

Structure Activity Relationship is among the most important result that your screening data contains. You can use SAR to understand which structural elements play a role in achieving your goals. CDD Vault provides full SAR analysis in a single unified environment for data management, so no export/import steps are necessary to get SAR results - results that will help guide your research toward the best outcomes. 

SAR analysis in CDD Vault will help you:

  • Understand trends between a compound’s biological activity and physical properties
  • Focus synthesis on the compounds most likely to be active
  • Avoid compounds with undesirable properties (e.g., toxicity or poor bioavailability)
  • Save time and money by using computer-aided drug design

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Deciding which compounds to synthesize next can be a challenging question. It is important to make full use of all of your existing data by learning about the structure activity relationships it can reveal. CDD Vault provides conventional SAR tables of course, but it also gives you access to data from multiple public sources for comparison with hundreds of published sources, including popular MLSMR, GlaxoSmithKline TCAMs, and FDA-Approved Re-purposed Drugs data sets. Access to these two million compounds with their bioactivity, ADME, and toxicology data is extremely useful in plotting your optimization.

Structure Activity Relationship analysis is more powerful within CDD Vault because you can:

  • Apply SAR analysis in the same system in which you store your data
  • Compare your results with built-in public screening data from hundreds of public sources
  • Rely on physical chemical properties calculated automatically for all compounds
  • Explore the relationships and trends graphically
  • Access your data and analyses from any web browser

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CDD Vault is a private hosted cloud application, making SAR analysis part of a complete solution for drug discovery informatics at a fraction of the legacy cost. It has never been easier to collect all your screening data, calculate dose-response, and build SAR tables. CDD Vault is affordable to academic laboratories, research foundations, and small companies.

When using the CDD Vault, all your assay data, compound structures, and SAR tables are securely managed and readily accessible to you from any web browser.

This innovative hosted solution makes it possible to share selected data sets with your colleagues in the lab or across the globe.

Learn more about how this SAR tool can help you with all of your drug discovery informatics needs.