...
OCHEM provides a SOAP web-service that allows to create and apply predictive models as well as to upload data.
WSDL descriptor for the service can be found at
http://ochem.eu/services/ModelService?wsdl for work with model
http://ochem.eu/services/DataService?wsdl for work with data
Based on this WSDL, you can assemble your own clients or invoke the web-service via, e.g., KNIME.
Please note, that web-service API can change and you will have to recompile your client.
...