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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

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:

 

 

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