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Hello, thank you for your nice package.
I want to generate PubChem fingerprint which is 881 length binary bit vector (PubChem fingerprint description: https://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.pdf)
Looking at the folder below in git, I found a suitable example. "PubChemPy/examples/Chemical fingerprints and similarity.ipynb."
import pubchempy as pcp coumarin = pcp.Compound.from_cid(323) bin(int(coumarin.fingerprint, 16))
But output of bin function is length 900 and it contains "b".
I want to get exact length of PubChem Fingerprint from CID.
Please describe me how to do this.
Thanks in advance,
Hyojin
The text was updated successfully, but these errors were encountered:
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Hello, thank you for your nice package.
I want to generate PubChem fingerprint which is 881 length binary bit vector
(PubChem fingerprint description: https://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.pdf)
Looking at the folder below in git, I found a suitable example.
"PubChemPy/examples/Chemical fingerprints and similarity.ipynb."
But output of bin function is length 900 and it contains "b".
I want to get exact length of PubChem Fingerprint from CID.
Please describe me how to do this.
Thanks in advance,
Hyojin
The text was updated successfully, but these errors were encountered: