diff options
| author | rautenberg <rautenberg@in-silico.ch> | 2015-10-29 13:54:13 +0100 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2015-10-29 13:54:13 +0100 |
| commit | 9de297f2c3ea1c646017284e89b5389ed583ac0a (patch) | |
| tree | 03411243c0d675fd2c1c46f930c2d21aeb71eb5e /api | |
| parent | 65552bdcf26aafdc79ebd61c6ad919916a4b35a3 (diff) | |
API add single identifier descriptor calculation
Diffstat (limited to 'api')
| -rw-r--r-- | api/api.json | 11 |
1 files changed, 9 insertions, 2 deletions
diff --git a/api/api.json b/api/api.json index 9d7e25f..641c05e 100644 --- a/api/api.json +++ b/api/api.json @@ -189,7 +189,7 @@ "algorithm", "descriptor" ], - "description": "Calculate desriptors for single compound or an array of compounds <br> <strong>curl example:</strong> <pre>curl -Lk -X POST -i -H \"accept:application/json\" -F \"file=@../lazar/test/data/batch_prediction.csv;type=application/csv\" -F \"descriptor=Openbabel.HBA1,Openbabel.HBA2,JoeLib.LogP\" https://mr-test.in-silico.ch/algorithm/descriptor</pre>", + "description": "Calculate descriptors for a single compound as SMILES string or a CSV compound file <br> <strong>curl example:</strong> <pre>curl -Lk -X POST -i -H \"accept:application/json\" -F \"file=@../lazar/test/data/batch_prediction.csv;type=application/csv\" -F \"descriptor=Openbabel.HBA1,Openbabel.HBA2,JoeLib.LogP\" https://mr-test.in-silico.ch/algorithm/descriptor curl -Lk -X POST -i -H \"accept:application/json\" -F \"identifier=O=C1NC(=O)NC=C1\" -F \"descriptor=Openbabel.MW,JoeLib.LogP\" https://mr-test.in-silico.ch/algorithm/descriptor </pre> CSV compound file has to be comma separated with SMILES strings in the first column.", "parameters": [ { "name": "accept", @@ -206,10 +206,17 @@ "name": "file", "in": "formData", "description": "CSV file of compounds", - "required": true, + "required": false, "type": "file" }, { + "name": "identifier", + "in": "formData", + "description": "SMILES identifier", + "required": false, + "type": "string" + }, + { "name": "descriptor", "in": "formData", "description": "array of descriptors", |