getSimilarities()
getSimilarities(
column
,molecule
,settings
):Promise
<Column
|null
>
Computes similarity scores for molecules in the input vector based on a preferred similarity score. See example: https://public.datagrok.ai/js/samples/domains/chem/similarity-scoring-scores
Parameters
Parameter | Type | Default value | Description |
---|---|---|---|
column | Column <any > | undefined | Column with molecules to search in |
molecule | string | '' | Reference molecule in one of formats supported by RDKit: smiles, cxsmiles, molblock, v3Kmolblock, and inchi |
settings | object | {} | Properties for the similarity function (type, parameters, etc.) |
Returns
Promise
<Column
| null
>
- Column of corresponding similarity scores