uploading Dataset pbtxt for AstraZeneca dataset

open-reaction-database / ord-data

Official data repository for the Open Reaction Database

https://open-reaction-database.org

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uploading Dataset pbtxt for AstraZeneca dataset #119

Closed bznan closed 2 years ago

bznan commented 2 years ago

This is an enumerated dataset of 750 reactions generated from AstraZeneca ELN (10.26434/chemrxiv.14589498.v2) created using the interactive web editor. The pbtxt file is attached.

bznan commented 2 years ago

One catalyst smiles is missing.

skearnes commented 2 years ago

@bznan thanks for your submission! It looks like the automated validations are failing---please make sure there are no warnings in the editor. Feel free to re-open when you push again!

bznan commented 2 years ago

Hi, sorry I am new to this. I found there is one reactant smiles missing in the validation report. I have updated the data file, is it okay to reopen it now?