Dear Greg
Dear Markus
Thank you for the new script
We have some more questions:
When the compound has only one cycle, the scaffold will be only the cycle.
When the compound has no cycle, then the script cannot find a scaffold.
Is it possible to take into account the longest chain in the molecule?
Example with a single cycle : NC(NC(COC(CCC(COC(CCNC(N)=O)=O)CC1CCCCC1)=O)=O)=O
In that case, the chemist will consider that the cycle is a substituent on the
chain!
Example with no cycle at all : NC(NC(COC(CCC(COC(CCNC(N)=O)=O)CC(CC)CC)=O)=O)=O
The script says “error”.
Best regards
Christian de Bouillé
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