Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`MoleculeFingerprints`
MoleculeDistanceMatrix |
|
| | ||||
Details and Options
Examples
(2)
Basic Examples
(1)
Get the distance matrix for a list of molecules:
In[1]:=
Options
 | MoleculeDistanceMatrix |
In[2]:=
"FingerprintType"
,DistanceFunctionJaccardDissimilarity
| $DefaultFingerprintType |
In[3]:=
| MoleculeDistanceMatrix |
Out[3]//Short=
{{0.,0.970588,301,0.872549,0.8875},303,{1}}
In[4]:=
MatrixPlot[%,PlotLegendsAutomatic]
Out[4]=
Contents cannot be rendered at this time; please try again later
Scope
(1)
 |
|
 |
|
|
""