Hi, I had some questions about Morgan fingerprint counts. I used AllChem.GetHashedMorganFingerprint(mol, 2, nBits=2048) to get counts as descriptors for ML models. I am looking at the feature importance and some of these bits came up as important. I had a few questions on understanding these hashed fingerprints.
1. Are the structures the bits represent the same for GetHashedMorganFingerprint and GetMorganFingerprintasBitVect? 1. How can I visualize what a specific bit in the hashed morgan fingerprint looks like? Can I use DrawMorganBit to visualize it the same way I would for the normal fingerprint?
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