FPSim2
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Similarity Search with Bitvector rather than SMILES as Query?
Hi I was just wondering how one would go about performing a similarity search, when the queries Smiles is not known. So I only have the array of bits. As long as the length of the array is the same as the `molecules I want to screen through this should work, right?
In you code I find it difficult to find where exactly the conversion from Smiles string to Vector takes place. Bc I guess that's where I would have to start.