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Way 1: "Request until done"
To post predict a prediction task for a molecule, run the following request (as example):
https://ochem.eu/modelservice/getPrediction.do?modelId=1&mol=c1ccccc1
to It will predict mutagenicity of a single molecule (benzenebenzene (c1ccccc1 is MOLECULE) using the AMES model https://ochem.eu/model/1
(1 is MODEL_ID)
In general your request should have form https://ochem.eu/modelservice/getPrediction.do?modelId=YOUR_MODEL_ID&mol=YOUR_MOLECULE where YOUR_where MODEL_ID is the public model identifier and YOUR_MOLECULE is the analyzed molecule.
The molecule MOLECULE can be in SMILES or SD format. For both the formats, multiple molecules can be posted using $$$$ separator.
It is much more efficient to predict molecules in batches rather than posting separate tasks for each molecule.
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