Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`MoleculeFingerprints`
PatternFingerprint  |
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Details and Options
Examples
(1)
Basic Examples
(1)
Find the pattern fingerprint for a molecule:
In[1]:=
 | PatternFingerprint |
Out[1]=
NumericArray
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Find the number of nonzero elements in the fingerprint:
In[2]:=
Total[%]
Out[2]=
400
List the nonzero elements:
In[3]:=
PositionIndex[Normal[%%]][1]//Short
Out[3]//Short=
{2,4,8,12,17,19,22,28,384,2004,2018,2020,2021,2023,2038,2039,2047}
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""