Adding Aromatic proportion feature. #3682
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msudhanshu10
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This molecular descriptor will add a feature in the Descriptor class- 'AromaticProportion'. This feature is not inbuilt in rdkit. We have to compute it manually. I came across this feature while I was doing computation cheminformatics analysis in Delaney's research paper which includes the calculation of solubility of molecules.
AromaticProportion= no of aromatic atoms in a molecule/ no of heavy atoms in a molecule.
no of aromatic atoms and heavy atoms in a molecule can be calculated separately in a molecule with existing methods.
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