Structure Profiler Output

• Optional HTML Grid Selector

  • Users can select the level of detail desired as well as a property which will be used to group the results. Resulting compounds are split into “Selected” and “Unselected” Sets
  • Becomes less useful as the number of compounds grows

• Spotfire Visualization

  • Easily extensible by using the Spotfire API to make SOAP calls from the “Web Window”
    • Splitting Compounds
    • Diversity Selection
  • “Selected” compounds from an MDL Afferent library are mapped back into MDL Afferent for layout purposes and used to generate reagent shopping lists

Notes: