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General considerations

You can run predictions on OCHEM using simple REST-like web services.

Since a prediction is not an instantaneous task and can take several seconds to minutes, the prediction is performed asynchroniously, that is in two steps:

  1. Start a prediction task and get a task ID
  2. Fetch your prediction task using the task ID from step (1). Keep fetching until the task is ready
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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:

https://ochem.eu/modelservice/postModel.do?modelId=YOUR_MODEL_ID&mol=YOUR_MOLECULE

The resulting JSON will look like:

Given that the result.modelResponse.status is "success", the task ID used for retrieving the predictions is result.modelResponse.taskId


To fetch the model, use the following request:

http://ochem.eu/modelservice/fetchModel.do?taskId=YOUR_TASK_ID

If the task is still running, the resulting JSON will look like:

When the task is ready, the JSON will look like:

 

 

 

 

 

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