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The Izutsu dataset is in pretty good shape and has SMILES strings applied. The inorganic dataset, on the other hand, is digitized but needs additional postprocessing.
These would be helpful to include in future releases.
The text was updated successfully, but these errors were encountered:
jonwzheng
changed the title
Posting other datasets
Posting digitizations of other dissociation constant references
Feb 16, 2024
Thanks, Stuart. I'm working with the Leito group to figure out the non-aqueous pKa data, but would greatly welcome assistance with the inorganic set. I'll email you with some more information.
Considerable effort has been made toward digitizing two other datasets:
The Izutsu dataset is in pretty good shape and has SMILES strings applied. The inorganic dataset, on the other hand, is digitized but needs additional postprocessing.
These would be helpful to include in future releases.
The text was updated successfully, but these errors were encountered: