Hello!
I'm trying to realize substructure search. As I understand, the
ShortestPathFingerprinter is suitable for this. I ran into the following
problem. I attach two file(in molecules.zip). when using butane.mol as
query, should find ciclopentane.mol. When i found BitSet for butane i got:
{115, 503, 540, 653, 893}
{115, 503, 542, 653, 893} - for ciclopentane.
So i cannot find ciclopentane. Is there a way to make it work?-- С уважением, Николаев Артём
butane.MOL
Description: Binary data
ciclopentane.MOL
Description: Binary data
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