Uploading dataset pbtxt for Shields Doyle Paper #51
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Note 0% Yields did not show up in the schema when checking for consistency. Imidazole arylation for figure S42. https://doi.org/10.1038/s41586-021-03213-y
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The extended ligand set was not labeled. It is attached with a label here. |
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Hi @Jesus00-1, thanks for the PR and the bug report. I've updated the web editor with open-reaction-database/ord-editor#81; would you mind re-adding the zero yield values to the submission? They should be preserved now. |
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Hi, They are attached. Let me know if there is anything else I need to do on my end. Figure S42 and the extended dataset (S45) Thank you! |
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Oh, sorry, would you mind committing the updated files so they can be merged in this PR? |
(If it's easier, feel free to a create a new PR with the updated pbtxt.) |
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Pbtxt files were created using the interactive web editor. Reactions are from the paper https://doi.org/10.1038/s41586-021-03213-y.
Template reactions pbtxt and csv files are attached.
Note 0% Yields did not show up in the schema when checking for consistency.
This is an enumerated dataset of 1728 reactions from imidazole arylation for figure S42.
Shields_arylation_figS42.zip
This is an enumerated dataset of 256 reactions from imidazole arylation for figure S45 (Extended ligand set for testing model out of sample prediction performance)
experiment_index_extended_dataset.zip