Hello everyone, i want to describe how Fingerprints are calculated and get hashed into an Bitstring of 1's and 0's. My problem is the topological-torsion Fingerprint.
In generel, due to the Fingerprints in the RDKit.pdf i know how it works. there is an example (C,2,1)-(C,2,1)-(C,3,1)-(C,3,0) for on C with 2 bonds and one PI for (C,2,1) and so on... I'm using the GetHashedTopologicalTorsionFingerprintAsBitVect function to get such a string, but i dont find any documentation, how it is get hashed? In general, how are the ID's are calculated to set the "1" in the bitstring. I know there is now GetTopologicalTorsionFingerprintAsBitVect function due to the size. but with GetHashed it works. Does somebody know how? i simple description would be realy helpful. I would appreciate your help best, alex
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