searchSubstructure()
searchSubstructure(
column
,pattern
,settings
):Promise
<BitSet
>
Searches for a molecular pattern in a given column, returning a bitset with hits. See example: https://public.datagrok.ai/js/samples/domains/chem/substructure-search-library
Parameters
Parameter | Type | Default value | Description |
---|---|---|---|
column | Column <any > | undefined | Column with molecules to search |
pattern | string | '' | Pattern, either one of which RDKit supports |
settings | object | {} | |
settings.molBlockFailover ? | string | undefined | - |
Returns
Promise
<BitSet
>