Matching original ICSD entries to structure predictor results

Having used the structure predictor app to generate a list of candidate compounds, is there any way to find the original ICSD entry that the substitution was performed on to generate a specific candidate? From the structure predictor documentation it seems that before, when the results were e-mailed to you, this info used to be included. However, I can’t find it anywhere when I view the candidate structure on my dashboard.
Any help greatly appreciated!

Hmm, this information should be displayed on each candidate structure page – I just fixed it. Sorry about that.

In general, all information we store for each candidate compound is available for download in JSON format by appending “/json” to the url. Example:

You can see in there that we record the provenance of the structure, in this case an ICSD origin followed by a “SubstitutionTransformation”.

Thanks for reaching out about this.

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