Contents of the new LOTUS metadata files

[oolonek]

We are thinking about improvements to be made on the following files https://zenodo.org/doi/10.5281/zenodo.5794106.

Currently headers of 230106_frozen_metadata.csv.gz are

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structure_wikidata	structure_inchikey	structure_inchi	structure_smiles	structure_molecular_formula	structure_exact_mass	structure_xlogp	structure_smiles_2D	structure_cid	structure_nameIupac	structure_nameTraditional	structure_stereocenters_total	structure_stereocenters_unspecified	structure_taxonomy_npclassifier_01pathway	structure_taxonomy_npclassifier_02superclass	structure_taxonomy_npclassifier_03class	structure_taxonomy_classyfire_chemontid	structure_taxonomy_classyfire_01kingdom	structure_taxonomy_classyfire_02superclass	structure_taxonomy_classyfire_03class	structure_taxonomy_classyfire_04directparent	organism_wikidata	organism_name	organism_taxonomy_gbifid	organism_taxonomy_ncbiid	organism_taxonomy_ottid	organism_taxonomy_01domain	organism_taxonomy_02kingdom	organism_taxonomy_03phylum	organism_taxonomy_04class	organism_taxonomy_05order	organism_taxonomy_06family	organism_taxonomy_07tribe	organism_taxonomy_08genus	organism_taxonomy_09species	organism_taxonomy_10varietas	reference_wikidata	reference_doi	manual_validation

Currently we have discussed of

• pruning this table down to WD QIDs only for structure, organism, reference and adding other associated WD QIDs

• Define which ones

• sharing externally (not WD) fetched metadata (e.g. OTL taxa names, NPC and ClassyFire classes) associated to this core table in associated tables

• Define which metadata we would like.

• Share script to proceed to enrichment processes.

[Adafede]

Related to lotusnprod/lotus-search#53, lotusnprod/lotus-search#6 (amongst others like lotusnprod/lotus-search#104, lotusnprod/lotus-search#110, lotusnprod/lotus-search#50, lotusnprod/lotus-search#10)