...
To post a prediction task for a molecule, run the following request (as example):
https://ochem.eu/modelservice/getPrediction.do?modelId=YOUR_MODEL_ID&mol=YOUR_MOLECULE
where model ID the public model identifier.For example, you can run
https://ochem.eu/modelservice/getPrediction.do?modelId=1&mol=c1ccccc1 the following request
to predict mutagenicity of a single molecule (benzene) using AMES model https://ochem.eu/model/1
In general your request should have form https://ochem.eu/modelservice/getPrediction.do?modelId=YOUR_MODEL_ID&mol=YOUR_MOLECULE where YOUR_MODEL_ID is the public model identifier and YOUR_MOLECULE is molecule.
The 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.
...