I'm planning on updating the melting-point model and would like some advice
concerning the following:
"Where several SMARTS strings assign values to the same atom, only the
final assignment is retained." - http://open-babel.readthedocs.
io/en/latest/WritePlugins/AddNewDescriptor.html
1. Is there an easy way to see the individual assigned values for each
group/fragment for each molecule - maybe output a table somehow?
2. Is this the usual way things are done when modeling? I was assuming all
fragment counts were kept?
Andy Lang
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