Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`MoleculeFingerprints`
LayeredFingerprint |
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Details and Options
Examples
(3)
Basic Examples
(1)
Find the layered fingerprint for a molecule:
In[1]:=
 | LayeredFingerprint |
Out[1]=
NumericArray
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Find the number of nonzero elements in the fingerprint:
In[2]:=
Total[%]
Out[2]=
476
List the nonzero elements:
In[3]:=
PositionIndex[Normal[%%]][1]//Short
Out[3]//Short=
{2,3,21,23,31,34,40,49,460,2017,2020,2022,2025,2037,2039,2041,2043}
Options
(1)
Neat Examples
(1)
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