update the 750 AstraZeneca ELN pbtxt file (#122) #123
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* uploading Dataset pbtxt for AstraZeneca dataset * Delete AZ_dataset.pbtxt one ligand smiles missing * AZ dataset The .pbtxt file generated from 750 reactions from AstraZeneca ELN. * Delete AZ_dataset.pbtxt One Smiles missing * updated AZ dataset pbtxt file Solving one missing catalyst smiles string. * Delete AZ_dataset.pbtxt * upload AstraZeneca dataset pbtxt file A pbtxt file includes 750 reactions generated from AstraZeneca ELN * Delete AZ_dataset.pbtxt * uploading AZ dataset pbtxt file A pbtxt file includes 750 reactions generated from AZ ELN * upload data spreadsheet for AZ ELN The spreadsheet for 750 reactions generated from AZ ELN * Reaction Template using web submission * reaction index modified * updated AZ_ELN pbtxt file This pbtxtx file includes 750 Buchwald_Hartwig reactions generated from AstraZeneca ELN. New features have been updated including reaction type, index, created date, dataset description, experimental Note. * Delete AZ_ELN.pbtxt * Delete AZ_dataset.xlsx * Change the time stamp errors * Delete AZ_dataset.pbtxt * update AZ_dataset.pbtxt correct ligand amount information of the original AZ_dataset.pbtxt file.
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skearnes
approved these changes
Oct 22, 2021
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Thanks @bznan !! It's all merged in. |
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Thanks! |
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uploading Dataset pbtxt for AstraZeneca dataset
Delete AZ_dataset.pbtxt
one ligand smiles missing
The .pbtxt file generated from 750 reactions from AstraZeneca ELN.
One Smiles missing
Solving one missing catalyst smiles string.
Delete AZ_dataset.pbtxt
upload AstraZeneca dataset pbtxt file
A pbtxt file includes 750 reactions generated from AstraZeneca ELN
Delete AZ_dataset.pbtxt
uploading AZ dataset pbtxt file
A pbtxt file includes 750 reactions generated from AZ ELN
The spreadsheet for 750 reactions generated from AZ ELN
Reaction Template using web submission
reaction index modified
updated AZ_ELN pbtxt file
This pbtxtx file includes 750 Buchwald_Hartwig reactions generated from AstraZeneca ELN. New features have been updated including reaction type, index, created date, dataset description, experimental Note.
Delete AZ_ELN.pbtxt
Delete AZ_dataset.xlsx
Change the time stamp errors
Delete AZ_dataset.pbtxt
update AZ_dataset.pbtxt
correct ligand amount information of the original AZ_dataset.pbtxt file.