Closed electronicsbyjulie closed 2 years ago
It's a very strong agonist and it says so in the input data.
"fe39d5314aa62ad42f78627f3749c982": { "full_name": "acetic acid", "smiles": "CC(=O)[O-]", "aroma": { "http:\/\/www.thegoodscentscompany.com": [ "acrid", "sharp", "vinegar" ] }, "activity": { "https:\/\/www.nature.com\/articles\/srep38231": { "OR51E2": { "type": "vsa", "ec50": "-3.7" } },
Yet despite "type": "vsa", the docker misinterprets acetic acid as a non-agonist:
"type": "vsa"
"OR51E2": { "acetic_acid": { "Inactive": -56.081, "Active": -48.548, "Prediction": "Inverse Agonist", "Actual": "Non-Agonist" } },
It's a very strong agonist and it says so in the input data.
Yet despite
"type": "vsa"
, the docker misinterprets acetic acid as a non-agonist: