Export CSV for Postera upload - Githubissues

mwinokan / HIPPO

Hit Interaction Profiling for Procurement Optimisation

https://hippo.winokan.com

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Export CSV for Postera upload #111

Closed mwinokan closed 3 months ago

mwinokan commented 3 months ago

Previous upload columns:

[ ] fragment_method_name
[ ] fragment_notes (Fragalysis name)
[ ] fragment_method_date
[ ] fragment_submitter_name
[ ] fragment_reference_XChem
[ ] fragment_reference_SMILES
[ ] fragment_rationale
[ ] fragment_catalog_id
[ ] fragment_catalog_price
[ ] fragment_catalog_lead_time

HIPPO export columns:

[x] SMILES
[x] design method
[x] export date
[x] designer / author
[x] inspiration names
[x] inspiration smiles
[x] Enamine ID
[x] Enamine price
[x] Enamine lead-time