Hi everyone, I have been recently working on a project that implements Joback method using RDKit (https://en.wikipedia.org/wiki/Joback_method).
I believe the core to the success of this project is to make the 41 functional groups correctly represented by SMARTS code. I have compiled my own codes, see attachment. I would appreciate your review of it and let me know if you spot errors. I think building a robust/well-tested SMARTS database (though small in my case) would be helpful to others and other projects. Thank you, Chenyang PS: The ones highlighted red in the document are robust.
SMARTS.docx
Description: MS-Word 2007 document
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