mcs()
mcs(
table
,column
,returnSmarts
,exactAtomSearch
,exactBondSearch
):Promise
<string
>
Finds Most Common Substructure in the specified column. See example: https://public.datagrok.ai/js/samples/domains/chem/mcs
Parameters
Parameter | Type | Default value | Description |
---|---|---|---|
table | DataFrame | undefined | - |
column | string | undefined | Column with SMILES to analyze. |
returnSmarts | boolean | false | - |
exactAtomSearch | boolean | true | - |
exactBondSearch | boolean | true | - |
Returns
Promise
<string
>