Real Example

• Pre-HTS project

• Literature compound

  • Different to established series seen for target

• 4 atom RG query used to search GSK collection

  • 0.65 cut-off: 10,450 cmpds
  • 0.78 cut-off: 1319 cmpds

• Filtered & clustered using Daylight fp

• 51 compounds tested

• 1 compound confirmed active - 1.5M

  • Different RG to query
  • More compounds being selected based on this RG

Notes: