Polish Reaction Scheme
polish_reaction_schemeRefine and standardize CDXML reaction schemes with deterministic polishing, including alignment, condition merging, and preview rendering for publication-ready output.
Instructions
Run the audited deterministic polishing pipeline on a CDXML scheme.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| eln_csv | No | ||
| approach | No | chemdraw_mimic | |
| align_mode | No | rdkit | |
| input_path | Yes | ||
| output_path | No | ||
| render_preview | No | ||
| reference_cdxml | No | ||
| merge_conditions | No |