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Posting digitizations of other dissociation constant references #3

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jonwzheng opened this issue Feb 16, 2024 · 2 comments
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@jonwzheng
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Considerable effort has been made toward digitizing two other datasets:

  • Dissociation Constants of Inorganic Acids and Bases in Aqueous Solution; D D Perrin; Butterworths (1969)
  • Acid-Base Dissociation Constants in Dipolar Aprotic Solvents; Izutsu, K; Blackwell (1990)

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.

@jonwzheng jonwzheng changed the title Posting other datasets Posting digitizations of other dissociation constant references Feb 16, 2024
@stuchalk
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@jonwzheng Let me know how I can help with either of these. I have some students I can direct to help with this...

@jonwzheng
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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.

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