Open ghost opened 7 years ago
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.
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.