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Coating SMILES missing in MODENA dataset #90

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helma opened this issue Dec 8, 2016 · 0 comments
Open

Coating SMILES missing in MODENA dataset #90

helma opened this issue Dec 8, 2016 · 0 comments

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@helma
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helma commented Dec 8, 2016

Querying coating compounds from the the MODENA dataset does not return SMILES (or InChIs). The dataEntry for "Citrate" (URI: "https://data.enanomapper.net/query/compound/url/all?media=application/json&search=https%3A%2F%2Fdata.enanomapper.net%2Fcompound%2F1306%2F%26media%3Dapplication%2Fjson") is e.g.
[{"compound"=>{"URI"=>"https://data.enanomapper.net/compound/1306/conformer/1425", "structype"=>"NA", "metric"=>nil, "name"=>"", "cas"=>"", "einecs"=>""}, "values"=>{"https://data.enanomapper.net/feature/http%3A%2F%2Fwww.opentox.org%2Fapi%2F1.1%23CASRNDefault"=>"6132-04-3", "https://data.enanomapper.net/feature/http%3A%2F%2Fwww.opentox.org%2Fapi%2F1.1%23ChemicalNameDefault"=>"Citrate"}, "facets"=>[], "bundles"=>{}}]

I can retrieve SMILES for MODENA core compounds and for core and coating compounds of other bundles (e.g. Protein Corona) with the same method.

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