Katalyst: Managing duplicate compounds across plates and experiments

Description

• In some workflows, the same compound appears:
  • Multiple times on the same plate (replicates), or
  • On many plates across a campaign.
• Users want to:
  • Track compound usage across plates/experiments.
  • Avoid unintended duplicates but still allow deliberate replicates.

Solution

• Use a consistent compound identifier strategy:
  1. Unique compound IDs
     • Assign each distinct compound a stable ID in the Materials Table (e.g., corporate ID, registration ID).
     • Use this ID across all experiments and plates.
  2. Replicates vs duplicates
     • Treat deliberate replicates as multiple wells referencing the same material record (same ID).
     • Use well‑level properties (e.g., replicate index, concentration) to distinguish replicates rather than creating new material records.
  3. Preventing unintended duplicates
     • Configure Katalyst’s de‑duplication options so that:
       • True structural duplicates are not imported as new materials unless additional fields define uniqueness (e.g., solution details).
       • Warnings or reports flag potential duplicates across plates.
• For analysis and reporting:
  • Use filters and grouping by compound ID in review tables to summarize results across wells and plates.
  • Where available, apply a “best well” selection rule (e.g., highest yield, cleanest analytics) per compound for downstream registration or reporting.