Hi,
A (mostly complete) list of functions available in the cartridge is here:
http://rdkit.org/docs/Cartridge.html#functions
There isn't a particularly good match for GetHashedMorganFingerprint(),
which returns a count-based fingerprint of a particular length. The best
you can do is morgan_fp(),
Hi,
I have no idea how to run the function for hashedMorganfingenprint
(AllChem.GetHashedMorganFingerprint(ml, radius=2, nBits = 2048)) with RDKit
database cartridge. Thanks in advance.
Best,
Smith
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