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Clark, 2011 argues for introduction of zero-order bonds to ease the representation of non-organic compounds. This suggestion was directed at MDL format, but I believe it is also applicable to SMILES. Currently the representation of metal coordination in SMILES is ambiguous: one may represent it using single bond or not represent interaction at all, losing an important piece of information.
As for the symbol, I think ! could be easy to remember as it resembles both a dashed line (used in Clark, (2011)) and asymmetry due to donor-acceptor interactions.
The text was updated successfully, but these errors were encountered:
Clark, 2011 argues for introduction of zero-order bonds to ease the representation of non-organic compounds. This suggestion was directed at MDL format, but I believe it is also applicable to SMILES. Currently the representation of metal coordination in SMILES is ambiguous: one may represent it using single bond or not represent interaction at all, losing an important piece of information.
As for the symbol, I think
!
could be easy to remember as it resembles both a dashed line (used in Clark, (2011)) and asymmetry due to donor-acceptor interactions.The text was updated successfully, but these errors were encountered: