Improve quoting performance

[mwinokan]

• [x] Do we need to ask for better API access from MCule & Enamine? NO
• [ ] Rate-limiting?
• [ ] Implement bulk exact search
• [ ] Resolve intermittent 504 errors
• [x] Implement bulk similarity == 1.0 search
• [ ] Do something with products[0]['prices']['default']?

[mwinokan]

Bulk quoting with Enamine v2 API

Bulk exact search

• via /api/v2/catalog/search/in/building-blocks/by/SMILEs/EXACT
• Null entries are not matched!
• Order is not preserved!
• Duplicates are not removed...
• 2000 smiles query in BB 20-30 seconds
• Intermittent 504 errors...

HIPPO implementation

1. Quote batch of 2000 smiles
2. For each product in result: a. Calculate flattened INCHIKEYS b. Register each price as a quote in the DB
3. Then a similarity == 1.0 search for all quote-less compounds