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Is your feature request related to a problem? Please describe.
In order to produce more Cmiles identifiers, we need to expand the to_smiles API to allow for extra arguments which define the flavour of the smiles returned. Such as isomeric, explicit_hydrogen and mapped.
These options would allow the creation of the following variants
Is your feature request related to a problem? Please describe.
In order to produce more
Cmiles
identifiers, we need to expand theto_smiles
API to allow for extra arguments which define the flavour of the smiles returned. Such asisomeric
,explicit_hydrogen
andmapped
.These options would allow the creation of the following variants
are there any other options which we should include at this point?
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