Normally I use Chemspider webservice client (WSDL) with the help of Knime generic web service clients to convert a list of molecule names into a table containing molecular properties (physicochemical prperties,...). Now, Chemspider has suspended its WSDL function and I don't know how to get these data. I've tried using ChemBL, but the Get request function of uploaded workflows don't work. Are there any remaining ways (free)?
How can I get batch physicochemical properties for molecule names?
88 Views Asked by Farbod Shahabi At
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I myself use pubchempy module for this purpose. It's really easy to handle, and I find it more flexible and easier than chem spider for general use.