Description: During bulk import compounds without structures can be included in the files and the application will import them as unique items each time, creating various entries with the same information and empty structures, which is not the desired workflow.
Cause: SDF files use molfile placeholders for missing structures and these placeholders are excluded from uniqueness check validations which causes the creation of unique assets for each record without a structure. Configuration and mapping can be used to prevent the imports.
Solution:
1. In the material library configuration enable “Chemical Structure required” and “Include structure uniqueness checking” in the Uniqueness Rules
2. When importing:
- Select “Use Matches” or “Don't Submit Duplicates” to avoid creating duplicates
- For SDF bulk imports: Map the Chemical Name to "Chemical Name <Calculated>" - without a valid structure, the name cannot be calculated, and the record will fail with warning: “Mandatory value for field Chemical Name is missing.”
- For CSV bulk imports: Map the Chemical Structure field normally - blank fields records will fail with warning: “Mandatory value for field Chemical Structure is missing.”
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