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59 Validate metadata #64

Merged
merged 4 commits into from
Jan 6, 2022
Merged

59 Validate metadata #64

merged 4 commits into from
Jan 6, 2022

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xtrojak
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@xtrojak xtrojak commented Jan 6, 2022

There were cases when obtained metadata from a service had incorrect content (e.g. #59). This concerns mostly smiles, inchi, and inchikey, since those have defined form. We have covered this issue by using matchms validators, ensuring that each such attribute is valid.

Close #59.

@xtrojak xtrojak requested a review from hechth January 6, 2022 10:48
@xtrojak xtrojak requested a review from martenson January 6, 2022 12:23
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xtrojak commented Jan 6, 2022

This functionality assumes that validators provided by matchms (actually using rdkit) are correct.

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hechth commented Jan 6, 2022

I think using the validators from matchms is a good starting point - we can still improve them if necessary or switch to something else when it is needed.

@martenson martenson merged commit 2dc4bc5 into RECETOX:main Jan 6, 2022
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INCHIKEY field gets filled with html content
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