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open-reaction-database / ord-data

Official data repository for the Open Reaction Database
https://open-reaction-database.org
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update the 750 AstraZeneca ELN pbtxt file #122

Closed bznan closed 2 years ago

bznan commented 2 years ago

Corrected the ligand amount of the previous dataset.

connorcoley commented 2 years ago

It looks like many of the examples still have 1:1 metal:ligand, but not all. Are you confident in these values now? Are there any other additives/variations that might be missing from the spreadsheet?

connorcoley commented 2 years ago

It looks like many of the examples still have 1:1 metal:ligand, but not all. Are you confident in these values now? Are there any other additives/variations that might be missing from the spreadsheet?

connorcoley commented 2 years ago

It looks like many of the examples still have 1:1 metal:ligand, but not all. Are you confident in these values now? Are there any other additives/variations that might be missing from the spreadsheet?

bznan commented 2 years ago

Yes, I am confident in these values, because they are updated from one extra amount column I added generated from ELN. And about 20 missing values are added corresponding to the procedure details by hand. Some of the amounts are indeed the same.

connorcoley commented 2 years ago

Great, thanks! If the tests pass, I'll merge it in