General considerations
You can run predictions on OCHEM using simple REST-like web services.
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- Start a prediction task and get a task ID
- Fetch your prediction task using the task ID from step (1). Keep fetching until the task is ready
| Info |
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Some OCHEM models (e.g. models aggregated using Bagging method), require significant amount of calculations |
Service URLs and formats
To post a task, run the following request:
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| Code Block |
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{
"modelResponse": {
"taskId": "0",
"predictions": {
"moleculeID": "1002136505",
"predictions": {
"unit": "-log(mmol/L)",
"predictedValueString": "2.7139999866485596", // Prediction value (round it as you find necessary)
"value": "2.7139999866485596",
"dm": "0.8611000180244446", // The "distance to model" used for the accuracy estimation
"property": "log(IGC50-1)", // The predicted property
"accuracy": "0.7065203028344436", // The prediction accuracy (RMSE)
"realValue": "0.0"
},
"depictionID": "1000651576"
},
"metaserverTaskId": "0",
"status": "success",
"modelDescriptionUrl": "http://ochem.eu/model/3"
}
} |
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