| chembl server [message #671] |
Sun, 13 October 2019 19:30  |
pc419714@ohio.edu
Messages: 20
Registered: February 2019
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Junior Member |
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I'm building a QSAR creator in python. https://www.aidrugdiscovery.net
We are trying to figure out how you communicated with the Chembl server to download compounds from the target name. Are you aware of any python clients that allow you to do this with Chembl? We're looking at your source code-- ChemblCommunicator.java, ChemblServerConstants.java, DETaskChemblQuery.java
There's pugrest for pubchem. I don't see any easy way of communicating with either pubchem or chembl to download the compounds based on their target. We might just tell our clients to download Data Warrior in order to get the compounds.... (or maybe create a Data Warrior plugin that allows you to communicate with our toolkit). Maybe a data warrior plugin that piped the compounds to our QSAR creator. If you had any thoughts on our concept, I'd love to hear.
Loving Data Warrior, defending my masters thesis using it. Thanks so much for your great software and answering all my questions!
Patrick Chirdon
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