descriptors()
descriptors(
table
,column
,descriptors
):Promise
<DataFrame
>
Calculates specified descriptors for the molecular column. See example: https://public.datagrok.ai/js/samples/domains/chem/descriptors
Parameters
Parameter | Type | Description |
---|---|---|
table | DataFrame | Table. |
column | string | Column name with SMILES to calculate descriptors for. |
descriptors | string [] | RDKit descriptors to calculate. |
Returns
Promise
<DataFrame
>